CID 169501867

Amlodipine metabolite m10

Structural Information

Molecular Formula
C20H22ClNO6
SMILES
CCOC(=O)C1=C(C(=C(N=C1COCCO)C)C(=O)OC)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H22ClNO6/c1-4-28-20(25)18-15(11-27-10-9-23)22-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,23H,4,9-11H2,1-3H3
InChIKey
GENKLQVQPHBQHA-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.11356 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12084 190.9
[M+Na]+ 430.10278 199.1
[M-H]- 406.10628 195.4
[M+NH4]+ 425.14738 201.0
[M+K]+ 446.07672 195.3
[M+H-H2O]+ 390.11082 182.8
[M+HCOO]- 452.11176 205.6
[M+CH3COO]- 466.12741 221.0
[M+Na-2H]- 428.08823 189.7
[M]+ 407.11301 200.9
[M]- 407.11411 200.9
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.