CID 4136846

4-(3-chlorophenyl)-2-methyl-n-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C23H22ClN3O2
SMILES
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=CC=C4)Cl)C(=O)CCC3)C
InChI
InChI=1S/C23H22ClN3O2/c1-13-9-10-25-19(11-13)27-23(29)20-14(2)26-17-7-4-8-18(28)22(17)21(20)15-5-3-6-16(24)12-15/h3,5-6,9-12,21,26H,4,7-8H2,1-2H3,(H,25,27,29)
InChIKey
IFSSTGXQTJGBNE-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.14005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14733 198.7
[M+Na]+ 430.12927 214.6
[M+NH4]+ 425.17387 206.1
[M+K]+ 446.10321 205.4
[M-H]- 406.13277 204.8
[M+Na-2H]- 428.11472 206.3
[M]+ 407.13950 203.0
[M]- 407.14060 203.0
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.