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]+ 342.169996 181.1
[M+Na]+ 364.151938 183.7
[M-H]- 340.155444 186.8
[M+NH4]+ 359.196543 193.1
[M+K]+ 380.125878 182.4
[M+H-H2O]+ 324.159980 172.7
[M+HCOO]- 386.160921 200.1
[M+CH3COO]- 400.176571 214.6
[M+Na-2H]- 362.137386 182.7
[M]+ 341.16217142 182.8
[M]- 341.16326858 182.8
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.