CID 3036381

Benzenamine, n-(phenylmethylene)-, n-oxide

Structural Information

Molecular Formula

C₁₃H₁₁NO

SMILES

C1=CC=C(C=C1)/C=[N+](/C2=CC=CC=C2)\[O-]

InChI

InChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-

InChIKey

ZEAUJQWDPKRESH-KAMYIIQDSA-N

Compound name

N,1-diphenylmethanimine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 48
Patents: 197.08406 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]+	198.09134	142.4
[M+Na]+	220.07328	148.2
[M-H]-	196.07678	148.8
[M+NH4]+	215.11788	160.4
[M+K]+	236.04722	140.4
[M+H-H2O]+	180.08132	139.8
[M+HCOO]-	242.08226	168.0
[M+CH3COO]-	256.09791	178.1
[M+Na-2H]-	218.05873	151.5
[M]+	197.08351	138.7
[M]-	197.08461	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe