| SpectraBase Spectrum ID |
EzqgaDhkkTL |
| Name |
Lercanidipine |
| CAS Registry Number |
100427-26-7 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
611.299536046 u |
| Formula |
C36H41N3O6 |
| InChI |
InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3 |
| InChIKey |
ZDXUKAKRHYTAKV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
611.739 g/mol |
| Nominal Mass |
611 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
612.307 |
| SMILES |
N1C(=C(C(C(=C1C)C(OC(CN(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C)(C)C)=O)C1=CC(N(=O)=O)=CC=C1)C(OC)=O)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_472.10 |
