CID 326337

Ethyl 2-(2-acetamidophenyl)-2-oxoacetate

Structural Information

Molecular Formula
C12H13NO4
SMILES
CCOC(=O)C(=O)C1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C12H13NO4/c1-3-17-12(16)11(15)9-6-4-5-7-10(9)13-8(2)14/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
PWMFAHBJVNTTIL-UHFFFAOYSA-N
Compound name
ethyl 2-(2-acetamidophenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 150.8
[M+Na]+ 258.07368 157.0
[M-H]- 234.07718 154.5
[M+NH4]+ 253.11828 168.0
[M+K]+ 274.04762 156.2
[M+H-H2O]+ 218.08172 144.2
[M+HCOO]- 280.08266 173.9
[M+CH3COO]- 294.09831 193.3
[M+Na-2H]- 256.05913 153.4
[M]+ 235.08391 153.0
[M]- 235.08501 153.0
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

No patent data available for this compound.