CID 792367

67735-53-9

Structural Information

Molecular Formula

C₁₃H₁₁NO₄

SMILES

CN(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=CO2

InChI

InChI=1S/C13H11NO4/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)

InChIKey

XUTOVKFGVYNJCP-UHFFFAOYSA-N

Compound name

2-[furan-2-carbonyl(methyl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 245.0688 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.07608	153.1
[M+Na]+	268.05802	159.6
[M-H]-	244.06152	161.0
[M+NH4]+	263.10262	170.0
[M+K]+	284.03196	159.7
[M+H-H2O]+	228.06606	146.2
[M+HCOO]-	290.06700	177.0
[M+CH3COO]-	304.08265	193.6
[M+Na-2H]-	266.04347	156.2
[M]+	245.06825	155.3
[M]-	245.06935	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe