CID 11200267

Dimethyl 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C19H23ClN2O5
SMILES
CC1=C(C(C(=C(N1)COCCN)C(=O)OC)C2=CC=CC=C2Cl)C(=O)OC
InChI
InChI=1S/C19H23ClN2O5/c1-11-15(18(23)25-2)16(12-6-4-5-7-13(12)20)17(19(24)26-3)14(22-11)10-27-9-8-21/h4-7,16,22H,8-10,21H2,1-3H3
InChIKey
UDSAEMGNQXMCDF-UHFFFAOYSA-N
Compound name
dimethyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

394.12955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.136826 191.0
[M+Na]+ 417.118768 197.9
[M-H]- 393.122274 194.7
[M+NH4]+ 412.163373 201.0
[M+K]+ 433.092708 193.4
[M+H-H2O]+ 377.126810 183.1
[M+HCOO]- 439.127751 204.8
[M+CH3COO]- 453.143401 221.2
[M+Na-2H]- 415.104216 188.5
[M]+ 394.12900142 196.1
[M]- 394.13009858 196.1
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