CID 6919196

4-oxo-2-(phenylamino)-4,5-dihydrofuran-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1C(=O)C(=C(O1)NC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H9NO4/c13-8-6-16-10(9(8)11(14)15)12-7-4-2-1-3-5-7/h1-5,12H,6H2,(H,14,15)
InChIKey
TWMQSQKWJTXETM-UHFFFAOYSA-N
Compound name
2-anilino-4-oxofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

219.05316 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 144.0
[M+Na]+ 242.042378 151.4
[M-H]- 218.045884 150.6
[M+NH4]+ 237.086983 161.6
[M+K]+ 258.016318 150.1
[M+H-H2O]+ 202.050420 137.7
[M+HCOO]- 264.051361 167.6
[M+CH3COO]- 278.067011 185.5
[M+Na-2H]- 240.027826 148.6
[M]+ 219.05261142 143.9
[M]- 219.05370858 143.9
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

patents stripe