CID 367109

2-furylglyoxal anthranilic acid

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=CC=C(C(=C1)C(=O)O)N=CC(=O)C2=CC=CO2
InChI
InChI=1S/C13H9NO4/c15-11(12-6-3-7-18-12)8-14-10-5-2-1-4-9(10)13(16)17/h1-8H,(H,16,17)
InChIKey
NKYLIYKCQNNTOR-UHFFFAOYSA-N
Compound name
2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05316 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.060436 151.7
[M+Na]+ 266.042378 158.8
[M-H]- 242.045884 159.5
[M+NH4]+ 261.086983 168.7
[M+K]+ 282.016318 157.7
[M+H-H2O]+ 226.050420 144.7
[M+HCOO]- 288.051361 176.8
[M+CH3COO]- 302.067011 191.9
[M+Na-2H]- 264.027826 156.0
[M]+ 243.05261142 153.8
[M]- 243.05370858 153.8
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.