SpectraBase Compound ID | 55CNWcNtaST |
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InChI | InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) |
InChIKey | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
Mol Weight | 610.7 g/mol |
Molecular Formula | C33H34N6O6 |
Exact Mass | 610.253983 g/mol |
SpectraBase Spectrum ID | FIyYLLpbMcw |
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Name | Candesartancilexetil |
CAS Registry Number | 145040-37-5 |
Collision Energy | 20 eV |
Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
Exact Mass | 610.253982833 u |
Formula | C33H34N6O6 |
InChI | InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) |
InChIKey | GHOSNRCGJFBJIB-UHFFFAOYSA-N |
Instrument Name | QStar XL, AB Sciex |
Ion Polarity | P |
Ionization Type | ESI+ |
Molecular Weight | 610.671 g/mol |
Nominal Mass | 610 u |
Precursor Ion | [M+H]+ |
Precursor m/z | 611.261 |
SMILES | N1N=NC(=N1)C=1C(C2=CC=C(CN3C=4C(N=C3OCC)=CC=CC4C(OC(OC(OC3CCCCC3)=O)C)=O)C=C2)=CC=CC1 |
Selected Ion Charge | 1 |
Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
Spectrum Type | ms2 |
Synonyms | 1-cyclohexyloxycarbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
Technique | Q-TOF |
Wiley ID | MSforID_+_157.3 |