CID 54677433

Nsc675810

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCO)O
InChI
InChI=1S/C12H12N2O4/c15-6-5-13-11(17)9-10(16)7-3-1-2-4-8(7)14-12(9)18/h1-4,15H,5-6H2,(H,13,17)(H2,14,16,18)
InChIKey
MBGFXTSZNLJTQD-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 151.7
[M+Na]+ 271.06893 159.8
[M-H]- 247.07243 151.4
[M+NH4]+ 266.11353 166.5
[M+K]+ 287.04287 155.3
[M+H-H2O]+ 231.07697 145.1
[M+HCOO]- 293.07791 170.5
[M+CH3COO]- 307.09356 189.0
[M+Na-2H]- 269.05438 157.4
[M]+ 248.07916 150.5
[M]- 248.08026 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.