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]+ 236.091736 150.8
[M+Na]+ 258.073678 157.0
[M-H]- 234.077184 154.5
[M+NH4]+ 253.118283 168.0
[M+K]+ 274.047618 156.2
[M+H-H2O]+ 218.081720 144.2
[M+HCOO]- 280.082661 173.9
[M+CH3COO]- 294.098311 193.3
[M+Na-2H]- 256.059126 153.4
[M]+ 235.08391142 153.0
[M]- 235.08500858 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.