CID 463642

Chembl145771

Structural Information

Molecular Formula
C32H35N3O3
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)OC)C(=O)NC4=C(C=CC(=C4)C)C)C)C
InChI
InChI=1S/C32H35N3O3/c1-18-8-10-20(3)26(16-18)34-31(36)28-22(5)33-23(6)29(30(28)24-12-14-25(38-7)15-13-24)32(37)35-27-17-19(2)9-11-21(27)4/h8-17,30,33H,1-7H3,(H,34,36)(H,35,37)
InChIKey
PGYMCLICDHXMGK-UHFFFAOYSA-N
Compound name
3-N,5-N-bis(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

509.26785 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.27513 232.1
[M+Na]+ 532.25707 237.4
[M-H]- 508.26057 242.4
[M+NH4]+ 527.30167 235.9
[M+K]+ 548.23101 230.9
[M+H-H2O]+ 492.26511 219.6
[M+HCOO]- 554.26605 248.9
[M+CH3COO]- 568.28170 254.8
[M+Na-2H]- 530.24252 226.5
[M]+ 509.26730 232.8
[M]- 509.26840 232.8
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.