CID 3017672

66353-69-3

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H14N2O/c1-16-13-8-7-11(9-12(13)15)14(17)10-5-3-2-4-6-10/h2-9,16H,15H2,1H3

InChIKey

SFVWUAIFCISEEK-UHFFFAOYSA-N

Compound name

[3-amino-4-(methylamino)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 226.11061 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]+	227.117886	150.5
[M+Na]+	249.099828	157.3
[M-H]-	225.103334	157.0
[M+NH4]+	244.144433	167.7
[M+K]+	265.073768	153.4
[M+H-H2O]+	209.107870	142.9
[M+HCOO]-	271.108811	175.7
[M+CH3COO]-	285.124461	195.6
[M+Na-2H]-	247.085276	155.6
[M]+	226.11006142	148.1
[M]-	226.11115858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe