CID 97961399

Dehydro lercanidipine

Structural Information

Molecular Formula
C36H39N3O6
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/C36H39N3O6/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/h7-19,22,30H,20-21,23H2,1-6H3
InChIKey
JIWNIVBUTXSUBK-UHFFFAOYSA-N
Compound name
3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

609.2839 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.29118 246.4
[M+Na]+ 632.27312 259.6
[M+NH4]+ 627.31772 249.6
[M+K]+ 648.24706 255.7
[M-H]- 608.27662 254.2
[M+Na-2H]- 630.25857 255.0
[M]+ 609.28335 250.4
[M]- 609.28445 250.4
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.