CID 824670

4-oxo-1,4-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)N
InChI
InChI=1S/C10H8N2O2/c11-10(14)7-5-12-8-4-2-1-3-6(8)9(7)13/h1-5H,(H2,11,14)(H,12,13)
InChIKey
CVAWACBLSANHSQ-UHFFFAOYSA-N
Compound name
4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

298
Patents

188.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 136.4
[M+Na]+ 211.04780 145.7
[M-H]- 187.05130 138.4
[M+NH4]+ 206.09240 154.7
[M+K]+ 227.02174 141.6
[M+H-H2O]+ 171.05584 130.0
[M+HCOO]- 233.05678 158.0
[M+CH3COO]- 247.07243 181.8
[M+Na-2H]- 209.03325 143.7
[M]+ 188.05803 134.1
[M]- 188.05913 134.1
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

patents stripe