CID 3705879

476482-77-6

Structural Information

Molecular Formula
C29H25Cl2N3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=C(C=C4)Cl)Cl)C(=O)CC(C3)C5=CC=CC=C5)C
InChI
InChI=1S/C29H25Cl2N3O2/c1-16-7-6-10-25(32-16)34-29(36)26-17(2)33-23-13-19(18-8-4-3-5-9-18)14-24(35)28(23)27(26)21-12-11-20(30)15-22(21)31/h3-12,15,19,27,33H,13-14H2,1-2H3,(H,32,34,36)
InChIKey
ALJLZIGQSGGHEM-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.1324 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.13968 225.7
[M+Na]+ 540.12162 233.1
[M-H]- 516.12512 233.5
[M+NH4]+ 535.16622 230.0
[M+K]+ 556.09556 223.3
[M+H-H2O]+ 500.12966 213.3
[M+HCOO]- 562.13060 229.3
[M+CH3COO]- 576.14625 231.1
[M+Na-2H]- 538.10707 222.7
[M]+ 517.13185 225.6
[M]- 517.13295 225.6
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.