CID 5085597

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

Structural Information

Molecular Formula
C23H22N4O4
SMILES
CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CCC3)C
InChI
InChI=1S/C23H22N4O4/c1-13-9-10-19(24-12-13)26-23(29)20-14(2)25-17-7-4-8-18(28)22(17)21(20)15-5-3-6-16(11-15)27(30)31/h3,5-6,9-12,21,25H,4,7-8H2,1-2H3,(H,24,26,29)
InChIKey
KEFNKNFXYKMYHO-UHFFFAOYSA-N
Compound name
2-methyl-N-(5-methylpyridin-2-yl)-4-(3-nitrophenyl)-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

418.1641 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17138 198.0
[M+Na]+ 441.15332 212.1
[M+NH4]+ 436.19792 203.7
[M+K]+ 457.12726 207.7
[M-H]- 417.15682 204.5
[M+Na-2H]- 439.13877 204.5
[M]+ 418.16355 201.6
[M]- 418.16465 201.6
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.