CID 40408

52514-77-9

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

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

InChI

InChI=1S/C15H15NO/c1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14,16H,1H3

InChIKey

HHBQNUTWFDOORZ-UHFFFAOYSA-N

Compound name

2-(methylamino)-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 225.11537 Da
Monoisotopic Mass: 2.4
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	151.2
[M+Na]+	248.10459	156.2
[M-H]-	224.10809	157.5
[M+NH4]+	243.14919	168.3
[M+K]+	264.07853	152.9
[M+H-H2O]+	208.11263	143.5
[M+HCOO]-	270.11357	174.7
[M+CH3COO]-	284.12922	192.8
[M+Na-2H]-	246.09004	156.7
[M]+	225.11482	149.4
[M]-	225.11592	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe