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
2
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 190.8
[M+Na]+ 417.11877 197.2
[M-H]- 393.12227 193.1
[M+NH4]+ 412.16337 200.0
[M+K]+ 433.09271 192.0
[M+H-H2O]+ 377.12681 183.2
[M+HCOO]- 439.12775 203.1
[M+CH3COO]- 453.14340 219.7
[M+Na-2H]- 415.10422 187.9
[M]+ 394.12900 194.1
[M]- 394.13010 194.1
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