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

34
Patents

394.12955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13683 191.0
[M+Na]+ 417.11877 197.9
[M-H]- 393.12227 194.7
[M+NH4]+ 412.16337 201.0
[M+K]+ 433.09271 193.4
[M+H-H2O]+ 377.12681 183.1
[M+HCOO]- 439.12775 204.8
[M+CH3COO]- 453.14340 221.2
[M+Na-2H]- 415.10422 188.5
[M]+ 394.12900 196.1
[M]- 394.13010 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