CID 137633

3-oxo-n,n-diphenylbutanamide

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

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

InChI

InChI=1S/C16H15NO2/c1-13(18)12-16(19)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3

InChIKey

VLPXGVNKPRHLGC-UHFFFAOYSA-N

Compound name

3-oxo-N,N-diphenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 253.11028 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]+	254.117556	158.2
[M+Na]+	276.099498	163.1
[M-H]-	252.103004	165.8
[M+NH4]+	271.144103	174.7
[M+K]+	292.073438	161.0
[M+H-H2O]+	236.107540	149.9
[M+HCOO]-	298.108481	182.2
[M+CH3COO]-	312.124131	199.8
[M+Na-2H]-	274.084946	162.3
[M]+	253.10973142	158.6
[M]-	253.11082858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe