| SpectraBase Compound ID | CKgcBOcPJ3y |
|---|---|
| InChI | InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) |
| InChIKey | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
| Mol Weight | 505.46 g/mol |
| Molecular Formula | C22H30Cl2N10 |
| Exact Mass | 504.203196 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7hX2Ly0NSST |
|---|---|
| Name | Chlorhexidine |
| CAS Registry Number | 55-56-1 |
| Collision Energy | 25 eV |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass | 504.203196406 u |
| Formula | C22H30Cl2N10 |
| InChI | InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34) |
| InChIKey | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
| Instrument Name | QStar XL, AB Sciex |
| Ion Polarity | P |
| Ionization Type | ESI+ |
| Molecular Weight | 505.458 g/mol |
| Nominal Mass | 504 u |
| Precursor Ion | [M+H]+ |
| Precursor m/z | 505.211 |
| SMILES | N(\C(=N\C(=N\CCCCCC\N=C/(\N=C\(NC1=CC=C(Cl)C=C1)N)N)N)N)C1=CC=C(Cl)C=C1 |
| Selected Ion Charge | 1 |
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type | ms2 |
| Synonyms | (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine |
| Technique | Q-TOF |
| Wiley ID | MSforID_+_191.4 |