CID 101290

Dtxsid001290523

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

COC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13NO3/c1-19-12-8-6-11(7-9-12)10-16-14-5-3-2-4-13(14)15(17)18/h2-10H,1H3,(H,17,18)

InChIKey

SZIDPRXJWMIIJF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 10
Patents: 255.08954 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]+	256.09682	156.0
[M+Na]+	278.07876	163.3
[M-H]-	254.08226	163.0
[M+NH4]+	273.12336	172.4
[M+K]+	294.05270	160.2
[M+H-H2O]+	238.08680	148.1
[M+HCOO]-	300.08774	181.1
[M+CH3COO]-	314.10339	196.9
[M+Na-2H]-	276.06421	161.2
[M]+	255.08899	157.6
[M]-	255.09009	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe