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]+ 247.07134 150.1
[M+Na]+ 269.05328 157.7
[M-H]- 245.05678 151.0
[M+NH4]+ 264.09788 165.2
[M+K]+ 285.02722 154.0
[M+H-H2O]+ 229.06132 143.2
[M+HCOO]- 291.06226 169.6
[M+CH3COO]- 305.07791 190.1
[M+Na-2H]- 267.03873 155.9
[M]+ 246.06351 149.1
[M]- 246.06461 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