CID 788751

2-hydroxy-5-[(5-methylfuran-2-carbonyl)amino]benzoic acid

Structural Information

Molecular Formula
C13H11NO5
SMILES
CC1=CC=C(O1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H11NO5/c1-7-2-5-11(19-7)12(16)14-8-3-4-10(15)9(6-8)13(17)18/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKey
OJNUJVDZJSIQQK-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(5-methylfuran-2-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

261.06372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 155.7
[M+Na]+ 284.05294 163.2
[M-H]- 260.05644 161.5
[M+NH4]+ 279.09754 171.1
[M+K]+ 300.02688 161.7
[M+H-H2O]+ 244.06098 149.4
[M+HCOO]- 306.06192 177.7
[M+CH3COO]- 320.07757 192.8
[M+Na-2H]- 282.03839 157.9
[M]+ 261.06317 157.0
[M]- 261.06427 157.0
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

No patent data available for this compound.