CID 212276

2-(3-benzoylphenyl)-n,n-dimethylacetamide

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

CN(C)C(=O)CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17NO2/c1-18(2)16(19)12-13-7-6-10-15(11-13)17(20)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3

InChIKey

OCKAZIAJRHOPOT-UHFFFAOYSA-N

Compound name

2-(3-benzoylphenyl)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.12592 Da
Monoisotopic Mass: 2.7
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]+	268.133196	162.2
[M+Na]+	290.115138	167.7
[M-H]-	266.118644	170.1
[M+NH4]+	285.159743	178.5
[M+K]+	306.089078	165.4
[M+H-H2O]+	250.123180	154.0
[M+HCOO]-	312.124121	186.0
[M+CH3COO]-	326.139771	203.9
[M+Na-2H]-	288.100586	165.2
[M]+	267.12537142	163.4
[M]-	267.12646858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.