CID 1082717

171204-22-1

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=CC=CC=C1NC(=O)C2=CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)19-17(21)13-10-16(20)18-15-9-5-3-7-12(13)15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKey
LQZPYSVHMRIOES-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 162.4
[M+Na]+ 301.09475 170.8
[M-H]- 277.09825 167.8
[M+NH4]+ 296.13935 177.0
[M+K]+ 317.06869 164.9
[M+H-H2O]+ 261.10279 153.9
[M+HCOO]- 323.10373 183.5
[M+CH3COO]- 337.11938 173.8
[M+Na-2H]- 299.08020 168.8
[M]+ 278.10498 161.2
[M]- 278.10608 161.2
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.