CID 169502108

Lercanidipine metabolite m8

Structural Information

Molecular Formula
C20H22N2O7
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC(C)(C)CO)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C20H22N2O7/c1-11-15(18(24)28-5)17(13-7-6-8-14(9-13)22(26)27)16(12(2)21-11)19(25)29-20(3,4)10-23/h6-9,23H,10H2,1-5H3
InChIKey
RQBQHVADHZDPFG-UHFFFAOYSA-N
Compound name
3-O-(1-hydroxy-2-methylpropan-2-yl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1427 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14998 190.2
[M+Na]+ 425.13192 201.9
[M+NH4]+ 420.17652 193.4
[M+K]+ 441.10586 201.6
[M-H]- 401.13542 191.4
[M+Na-2H]- 423.11737 193.9
[M]+ 402.14215 191.8
[M]- 402.14325 191.8
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.