CID 20671

Benzilic acid, (2-morpholinoethyl) ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO4
SMILES
C1COCCN1CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO4/c22-19(25-16-13-21-11-14-24-15-12-21)20(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,23H,11-16H2
InChIKey
XSHBBELIUBZPOD-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.5
[M+Na]+ 364.15194 182.4
[M-H]- 340.15544 186.3
[M+NH4]+ 359.19654 188.9
[M+K]+ 380.12588 179.9
[M+H-H2O]+ 324.15998 170.5
[M+HCOO]- 386.16092 194.4
[M+CH3COO]- 400.17657 205.3
[M+Na-2H]- 362.13739 185.0
[M]+ 341.16217 177.6
[M]- 341.16327 177.6
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.