CID 78169

4433-78-7

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H14N2O3/c1-8(15)7-12(17)14-11-5-3-10(4-6-11)13-9(2)16/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKey
PNVSDRLLBNUJBE-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

234.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.5
[M+Na]+ 257.08967 157.9
[M-H]- 233.09317 156.1
[M+NH4]+ 252.13427 169.5
[M+K]+ 273.06361 156.6
[M+H-H2O]+ 217.09771 145.6
[M+HCOO]- 279.09865 176.4
[M+CH3COO]- 293.11430 196.3
[M+Na-2H]- 255.07512 155.3
[M]+ 234.09990 152.5
[M]- 234.10100 152.5
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