CID 54687811

Smr000070025

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCO)O
InChI
InChI=1S/C13H14N2O4/c1-15-9-5-3-2-4-8(9)11(17)10(13(15)19)12(18)14-6-7-16/h2-5,16-17H,6-7H2,1H3,(H,14,18)
InChIKey
FLWYDXJZWBNEAW-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 156.1
[M+Na]+ 285.084588 165.1
[M-H]- 261.088094 157.5
[M+NH4]+ 280.129193 171.4
[M+K]+ 301.058528 161.3
[M+H-H2O]+ 245.092630 149.3
[M+HCOO]- 307.093571 176.0
[M+CH3COO]- 321.109221 195.5
[M+Na-2H]- 283.070036 161.0
[M]+ 262.09482142 157.6
[M]- 262.09591858 157.6
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.