CID 843399

40891-23-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 153.3
[M+Na]+ 257.08967 157.4
[M-H]- 233.09317 156.5
[M+NH4]+ 252.13427 169.8
[M+K]+ 273.06361 156.6
[M+H-H2O]+ 217.09771 146.2
[M+HCOO]- 279.09865 176.1
[M+CH3COO]- 293.11430 196.0
[M+Na-2H]- 255.07512 155.4
[M]+ 234.09990 152.2
[M]- 234.10100 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.