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]+ 244.06044 151.7
[M+Na]+ 266.04238 158.8
[M-H]- 242.04588 159.5
[M+NH4]+ 261.08698 168.7
[M+K]+ 282.01632 157.7
[M+H-H2O]+ 226.05042 144.7
[M+HCOO]- 288.05136 176.8
[M+CH3COO]- 302.06701 191.9
[M+Na-2H]- 264.02783 156.0
[M]+ 243.05261 153.8
[M]- 243.05371 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.