CID 169501971

Lercanidipine metabolite m5 intermediate 1

Structural Information

Molecular Formula
C20H25N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C20H25N3O6/c1-11-15(18(24)28-5)17(13-7-6-8-14(9-13)23(26)27)16(12(2)22-11)19(25)29-20(3,4)10-21/h6-9,17,22H,10,21H2,1-5H3
InChIKey
LLZPSMMUTAEWTG-UHFFFAOYSA-N
Compound name
5-O-(1-amino-2-methylpropan-2-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.17435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18163 192.0
[M+Na]+ 426.16357 201.7
[M+NH4]+ 421.20817 195.1
[M+K]+ 442.13751 201.7
[M-H]- 402.16707 193.6
[M+Na-2H]- 424.14902 194.6
[M]+ 403.17380 193.3
[M]- 403.17490 193.3
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.