CID 5073848

2-(p-toluoyl)acetanilide

Structural Information

Molecular Formula
C16H15NO2
SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H15NO2/c1-12-7-9-13(10-8-12)15(18)11-16(19)17-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
InChIKey
QPPRFURUNQQCOY-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 158.0
[M+Na]+ 276.09950 163.7
[M-H]- 252.10300 164.5
[M+NH4]+ 271.14410 174.2
[M+K]+ 292.07344 160.2
[M+H-H2O]+ 236.10754 150.1
[M+HCOO]- 298.10848 181.5
[M+CH3COO]- 312.12413 197.5
[M+Na-2H]- 274.08495 162.2
[M]+ 253.10973 157.5
[M]- 253.11083 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe