CID 14271883

Desmethyl amolodipine

Structural Information

Molecular Formula
C19H23ClN2O5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)COCCN
InChI
InChI=1S/C19H23ClN2O5/c1-3-27-19(25)17-14(10-26-9-8-21)22-11(2)15(18(23)24)16(17)12-6-4-5-7-13(12)20/h4-7,16,22H,3,8-10,21H2,1-2H3,(H,23,24)
InChIKey
RMMLXNROVBYURX-UHFFFAOYSA-N
Compound name
6-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-5-ethoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.12955 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13683 192.0
[M+Na]+ 417.11877 202.6
[M+NH4]+ 412.16337 196.0
[M+K]+ 433.09271 197.8
[M-H]- 393.12227 192.7
[M+Na-2H]- 415.10422 194.8
[M]+ 394.12900 193.6
[M]- 394.13010 193.6
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

patents stripe