CID 169501819

Lercanidipine metabolite m5

Structural Information

Molecular Formula
C20H27N3O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN)C2=CC(=CC=C2)N)C(=O)OC
InChI
InChI=1S/C20H27N3O4/c1-11-15(18(24)26-5)17(13-7-6-8-14(22)9-13)16(12(2)23-11)19(25)27-20(3,4)10-21/h6-9,17,23H,10,21-22H2,1-5H3
InChIKey
CJWNOHOZBZZAAO-UHFFFAOYSA-N
Compound name
5-O-(1-amino-2-methylpropan-2-yl) 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

373.20016 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.207436 192.2
[M+Na]+ 396.189378 197.5
[M-H]- 372.192884 195.5
[M+NH4]+ 391.233983 201.6
[M+K]+ 412.163318 194.3
[M+H-H2O]+ 356.197420 183.8
[M+HCOO]- 418.198361 208.5
[M+CH3COO]- 432.214011 223.8
[M+Na-2H]- 394.174826 189.8
[M]+ 373.19961142 191.6
[M]- 373.20070858 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.