CID 6441050

Schembl9492237

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CCC1=CC=C(C=C1)/[N+](=C/C2=CC=CC=C2)/[O-]

InChI

InChI=1S/C15H15NO/c1-2-13-8-10-15(11-9-13)16(17)12-14-6-4-3-5-7-14/h3-12H,2H2,1H3/b16-12-

InChIKey

RAVWGVVHWUBCGJ-VBKFSLOCSA-N

Compound name

N-(4-ethylphenyl)-1-phenylmethanimine oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.11537 Da
Monoisotopic Mass: 2.8
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]+	226.122646	151.7
[M+Na]+	248.104588	157.6
[M-H]-	224.108094	158.2
[M+NH4]+	243.149193	168.9
[M+K]+	264.078528	149.3
[M+H-H2O]+	208.112630	148.9
[M+HCOO]-	270.113571	176.7
[M+CH3COO]-	284.129221	185.2
[M+Na-2H]-	246.090036	159.1
[M]+	225.11482142	149.1
[M]-	225.11591858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe