CID 97114

Dtxsid101291043

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C14H11NO3/c16-13-4-2-1-3-11(13)9-15-12-7-5-10(6-8-12)14(17)18/h1-9,16H,(H,17,18)

InChIKey

CZNXQJHAMQNIHB-UHFFFAOYSA-N

Compound name

4-[(2-hydroxyphenyl)methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 14
Patents: 241.0739 Da
Monoisotopic Mass: 2.6
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]+	242.081176	151.7
[M+Na]+	264.063118	159.0
[M-H]-	240.066624	157.5
[M+NH4]+	259.107723	168.0
[M+K]+	280.037058	155.3
[M+H-H2O]+	224.071160	144.3
[M+HCOO]-	286.072101	175.6
[M+CH3COO]-	300.087751	191.5
[M+Na-2H]-	262.048566	157.0
[M]+	241.07335142	151.1
[M]-	241.07444858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe