CID 65866

Lercanidipine

Structural Information

Molecular Formula
C36H41N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
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
Compound name
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
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

287
References

18079
Patents

611.29956 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 612.30684 249.6
[M+Na]+ 634.28878 247.1
[M-H]- 610.29228 258.8
[M+NH4]+ 629.33338 247.2
[M+K]+ 650.26272 240.1
[M+H-H2O]+ 594.29682 240.4
[M+HCOO]- 656.29776 262.8
[M+CH3COO]- 670.31341 262.1
[M+Na-2H]- 632.27423 247.4
[M]+ 611.29901 250.0
[M]- 611.30011 250.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.