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]+ 342.133576 179.6
[M+Na]+ 364.115518 183.6
[M-H]- 340.119024 185.6
[M+NH4]+ 359.160123 191.7
[M+K]+ 380.089458 181.5
[M+H-H2O]+ 324.123560 170.5
[M+HCOO]- 386.124501 201.9
[M+CH3COO]- 400.140151 212.3
[M+Na-2H]- 362.100966 181.2
[M]+ 341.12575142 183.0
[M]- 341.12684858 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.