CID 39870082

2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NCC(=O)O
InChI
InChI=1S/C12H10N2O4/c15-10(16)6-14-12(18)8-5-13-9-4-2-1-3-7(9)11(8)17/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16)
InChIKey
BWWCXCZXHAOMCL-UHFFFAOYSA-N
Compound name
2-[(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

246.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.071336 150.1
[M+Na]+ 269.053278 157.7
[M-H]- 245.056784 151.0
[M+NH4]+ 264.097883 165.2
[M+K]+ 285.027218 154.0
[M+H-H2O]+ 229.061320 143.2
[M+HCOO]- 291.062261 169.6
[M+CH3COO]- 305.077911 190.1
[M+Na-2H]- 267.038726 155.9
[M]+ 246.06351142 149.1
[M]- 246.06460858 149.1
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

patents stripe