CID 45051035

Dimethyl 4-(3-((4-chlorobenzyl)oxy)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C24H24ClNO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C24H24ClNO5/c1-14-20(23(27)29-3)22(21(15(2)26-14)24(28)30-4)17-6-5-7-19(12-17)31-13-16-8-10-18(25)11-9-16/h5-12,22,26H,13H2,1-4H3
InChIKey
PSXJUZUZMZRPRB-UHFFFAOYSA-N
Compound name
dimethyl 4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.1343 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.14158 203.1
[M+Na]+ 464.12352 210.7
[M-H]- 440.12702 210.5
[M+NH4]+ 459.16812 211.3
[M+K]+ 480.09746 205.4
[M+H-H2O]+ 424.13156 193.5
[M+HCOO]- 486.13250 215.9
[M+CH3COO]- 500.14815 228.5
[M+Na-2H]- 462.10897 200.3
[M]+ 441.13375 209.4
[M]- 441.13485 209.4
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.