CID 135459360

Chembl2235155

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C14H12N2O2/c17-13-8-6-11(7-9-13)10-15-16-14(18)12-4-2-1-3-5-12/h1-10,17H,(H,16,18)/b15-10+

InChIKey

SOGSNJSJOSFZAI-XNTDXEJSSA-N

Compound name

N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 240.08987 Da
Monoisotopic Mass: 2.2
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]+	241.09715	154.5
[M+Na]+	263.07909	167.1
[M+NH4]+	258.12369	162.3
[M+K]+	279.05303	160.0
[M-H]-	239.08259	159.5
[M+Na-2H]-	261.06454	163.8
[M]+	240.08932	157.5
[M]-	240.09042	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe