CID 51743

73118-22-6

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(=O)C(C1=CC=CC=C1)(C(=O)OC(CN(C)C)C2=CC=CC=C2)O
InChI
InChI=1S/C20H23NO4/c1-15(22)20(24,17-12-8-5-9-13-17)19(23)25-18(14-21(2)3)16-10-6-4-7-11-16/h4-13,18,24H,14H2,1-3H3
InChIKey
NUSNCQAWMMRWPC-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-3-oxo-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.5
[M+Na]+ 364.15194 190.3
[M+NH4]+ 359.19654 186.0
[M+K]+ 380.12588 186.2
[M-H]- 340.15544 182.6
[M+Na-2H]- 362.13739 187.0
[M]+ 341.16217 182.3
[M]- 341.16327 182.3
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.