CID 218126

40281-11-6

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

C1=CC=C(C=C1)C(CN)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H,11,16H2

InChIKey

RPTXZRCSXYTNPE-UHFFFAOYSA-N

Compound name

3-amino-1,2-diphenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.11537 Da
Monoisotopic Mass: 1.8
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]+	226.12265	151.9
[M+Na]+	248.10459	156.9
[M-H]-	224.10809	157.6
[M+NH4]+	243.14919	168.7
[M+K]+	264.07853	153.2
[M+H-H2O]+	208.11263	144.2
[M+HCOO]-	270.11357	174.8
[M+CH3COO]-	284.12922	192.2
[M+Na-2H]-	246.09004	156.3
[M]+	225.11482	149.0
[M]-	225.11592	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe