CID 6496838

887685-94-1

Structural Information

Molecular Formula

C₁₉H₁₄N₂O₆

SMILES

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C19H14N2O6/c22-15-10-13(7-8-14(15)19(25)26)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10,22H,(H,20,24)(H,21,23)(H,25,26)

InChIKey

HUPASKFDURPNGE-UHFFFAOYSA-N

Compound name

4-[[4-(furan-2-carbonylamino)benzoyl]amino]-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 366.08517 Da
Monoisotopic Mass: 2.7
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]+	367.092446	182.5
[M+Na]+	389.074388	187.2
[M-H]-	365.077894	191.0
[M+NH4]+	384.118993	192.2
[M+K]+	405.048328	185.3
[M+H-H2O]+	349.082430	173.9
[M+HCOO]-	411.083371	204.0
[M+CH3COO]-	425.099021	214.5
[M+Na-2H]-	387.059836	183.4
[M]+	366.08462142	182.6
[M]-	366.08571858	182.6

Literature stripe

literature stripe

Patent stripe

patents stripe