CID 100818731

Lercanidipine impurity b

Structural Information

Molecular Formula
C35H37N3O6
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)O
InChI
InChI=1S/C35H37N3O6/c1-23-30(33(39)40)32(27-17-12-18-28(21-27)38(42)43)31(24(2)36-23)34(41)44-35(3,4)22-37(5)20-19-29(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h6-18,21,29H,19-20,22H2,1-5H3,(H,39,40)
InChIKey
XJPFRTCYDMQXMM-UHFFFAOYSA-N
Compound name
5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.26825 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.27553 242.4
[M+Na]+ 618.25747 255.3
[M+NH4]+ 613.30207 245.4
[M+K]+ 634.23141 251.9
[M-H]- 594.26097 249.7
[M+Na-2H]- 616.24292 250.7
[M]+ 595.26770 246.2
[M]- 595.26880 246.2
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.