CID 3042065

3'-hydroxy-3-morpholinopropiophenone benzoate (ester) hydrochloride

Structural Information

Molecular Formula
C20H21NO4
SMILES
C1COCCN1CCC(=O)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c22-19(9-10-21-11-13-24-14-12-21)17-7-4-8-18(15-17)25-20(23)16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKey
STEYGRSAHOZERL-UHFFFAOYSA-N
Compound name
[3-(3-morpholin-4-ylpropanoyl)phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.4
[M+Na]+ 362.13628 183.2
[M-H]- 338.13978 187.8
[M+NH4]+ 357.18088 189.6
[M+K]+ 378.11022 181.0
[M+H-H2O]+ 322.14432 169.8
[M+HCOO]- 384.14526 196.6
[M+CH3COO]- 398.16091 208.6
[M+Na-2H]- 360.12173 182.4
[M]+ 339.14651 178.8
[M]- 339.14761 178.8
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.