CID 4523098

2-methyl-n-(4-methyl-2-pyridinyl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C30H26F3N3O2
SMILES
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=CC=C4C(F)(F)F)C(=O)CC(C3)C5=CC=CC=C5)C
InChI
InChI=1S/C30H26F3N3O2/c1-17-12-13-34-25(14-17)36-29(38)26-18(2)35-23-15-20(19-8-4-3-5-9-19)16-24(37)28(23)27(26)21-10-6-7-11-22(21)30(31,32)33/h3-14,20,27,35H,15-16H2,1-2H3,(H,34,36,38)
InChIKey
CZJPLLGGDUWVIZ-UHFFFAOYSA-N
Compound name
2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.1977 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.20498 230.0
[M+Na]+ 540.18692 235.6
[M-H]- 516.19042 234.7
[M+NH4]+ 535.23152 232.3
[M+K]+ 556.16086 226.0
[M+H-H2O]+ 500.19496 214.1
[M+HCOO]- 562.19590 237.7
[M+CH3COO]- 576.21155 234.0
[M+Na-2H]- 538.17237 227.4
[M]+ 517.19715 221.7
[M]- 517.19825 221.7
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.