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
1
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]+ 374.20744 191.3
[M+Na]+ 396.18938 200.0
[M+NH4]+ 391.23398 194.9
[M+K]+ 412.16332 196.9
[M-H]- 372.19288 192.4
[M+Na-2H]- 394.17483 194.0
[M]+ 373.19961 192.4
[M]- 373.20071 192.4
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.