CID 54680440

Brn 4318959

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C12H12N2O3/c1-2-13-11(16)9-10(15)7-5-3-4-6-8(7)14-12(9)17/h3-6H,2H2,1H3,(H,13,16)(H2,14,15,17)
InChIKey
UYDZAQUMTHQJCC-UHFFFAOYSA-N
Compound name
N-ethyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 148.7
[M+Na]+ 255.07402 157.4
[M-H]- 231.07752 149.9
[M+NH4]+ 250.11862 165.0
[M+K]+ 271.04796 153.1
[M+H-H2O]+ 215.08206 142.1
[M+HCOO]- 277.08300 168.8
[M+CH3COO]- 291.09865 188.9
[M+Na-2H]- 253.05947 154.8
[M]+ 232.08425 148.0
[M]- 232.08535 148.0
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.