CID 4217321

Dimethyl 2,6-dimethyl-4-{4-[(3-methylbenzoyl)oxy]phenyl}-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C25H25NO6
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C25H25NO6/c1-14-7-6-8-18(13-14)23(27)32-19-11-9-17(10-12-19)22-20(24(28)30-4)15(2)26-16(3)21(22)25(29)31-5/h6-13,22,26H,1-5H3
InChIKey
FCVLOLMWNUASKO-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-[4-(3-methylbenzoyl)oxyphenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.16818 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17546 204.0
[M+Na]+ 458.15740 217.3
[M+NH4]+ 453.20200 208.1
[M+K]+ 474.13134 212.0
[M-H]- 434.16090 207.2
[M+Na-2H]- 456.14285 209.8
[M]+ 435.16763 206.6
[M]- 435.16873 206.6
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

No patent data available for this compound.