CID 1824851

2-oxo-2-phenylethyl 4-(4-methoxyanilino)-4-oxobutanoate

Structural Information

Molecular Formula
C19H19NO5
SMILES
COC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19NO5/c1-24-16-9-7-15(8-10-16)20-18(22)11-12-19(23)25-13-17(21)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)
InChIKey
GSTIRNVLHLYXLY-UHFFFAOYSA-N
Compound name
phenacyl 4-(4-methoxyanilino)-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 179.6
[M+Na]+ 364.11552 183.6
[M-H]- 340.11902 185.6
[M+NH4]+ 359.16012 191.7
[M+K]+ 380.08946 181.5
[M+H-H2O]+ 324.12356 170.5
[M+HCOO]- 386.12450 201.9
[M+CH3COO]- 400.14015 212.3
[M+Na-2H]- 362.10097 181.2
[M]+ 341.12575 183.0
[M]- 341.12685 183.0
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.