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
2
Annotation Hits

0
References

64
Patents

234.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.5
[M+Na]+ 257.089668 157.9
[M-H]- 233.093174 156.1
[M+NH4]+ 252.134273 169.5
[M+K]+ 273.063608 156.6
[M+H-H2O]+ 217.097710 145.6
[M+HCOO]- 279.098651 176.4
[M+CH3COO]- 293.114301 196.3
[M+Na-2H]- 255.075116 155.3
[M]+ 234.09990142 152.5
[M]- 234.10099858 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