CID 3055963

Propionic acid, 2,2-diphenyl-3-hydroxy-, 2-(diethylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCN(CC)CCOC(=O)C(CO)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27NO3/c1-3-22(4-2)15-16-25-20(24)21(17-23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,23H,3-4,15-17H2,1-2H3
InChIKey
QORVASXUPHFJID-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-hydroxy-2,2-diphenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 185.0
[M+Na]+ 364.188318 187.5
[M-H]- 340.191824 190.3
[M+NH4]+ 359.232923 197.3
[M+K]+ 380.162258 184.7
[M+H-H2O]+ 324.196360 176.1
[M+HCOO]- 386.197301 205.2
[M+CH3COO]- 400.212951 214.5
[M+Na-2H]- 362.173766 188.0
[M]+ 341.19855142 187.4
[M]- 341.19964858 187.4
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.