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]+ 249.086986 151.7
[M+Na]+ 271.068928 159.8
[M-H]- 247.072434 151.4
[M+NH4]+ 266.113533 166.5
[M+K]+ 287.042868 155.3
[M+H-H2O]+ 231.076970 145.1
[M+HCOO]- 293.077911 170.5
[M+CH3COO]- 307.093561 189.0
[M+Na-2H]- 269.054376 157.4
[M]+ 248.07916142 150.5
[M]- 248.08025858 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.