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 203.2
[M+Na]+ 458.15740 209.3
[M-H]- 434.16090 210.6
[M+NH4]+ 453.20200 210.4
[M+K]+ 474.13134 206.2
[M+H-H2O]+ 418.16544 192.9
[M+HCOO]- 480.16638 219.4
[M+CH3COO]- 494.18203 229.9
[M+Na-2H]- 456.14285 199.3
[M]+ 435.16763 207.4
[M]- 435.16873 207.4
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.