CID 3518248

361194-89-0

Structural Information

Molecular Formula
C23H22ClN3O2
SMILES
CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)Cl)C(=O)CCC3)C
InChI
InChI=1S/C23H22ClN3O2/c1-13-10-11-25-19(12-13)27-23(29)20-14(2)26-17-4-3-5-18(28)22(17)21(20)15-6-8-16(24)9-7-15/h6-12,21,26H,3-5H2,1-2H3,(H,25,27,29)
InChIKey
QFXQXMBJYPXUPT-UHFFFAOYSA-N
Compound name
4-(4-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

2
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 199.0
[M+Na]+ 430.12927 206.2
[M-H]- 406.13277 205.0
[M+NH4]+ 425.17387 207.6
[M+K]+ 446.10321 197.8
[M+H-H2O]+ 390.13731 188.4
[M+HCOO]- 452.13825 208.8
[M+CH3COO]- 466.15390 206.6
[M+Na-2H]- 428.11472 199.0
[M]+ 407.13950 197.0
[M]- 407.14060 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.