CID 3042069

1-(4-(benzyloxy)phenyl)-3-(4-morpholinyl)-1-propanone hydrochloride

Structural Information

Molecular Formula
C20H21NO4
SMILES
C1COCCN1CCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c22-19(10-11-21-12-14-24-15-13-21)16-6-8-18(9-7-16)25-20(23)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKey
OGGIONWNNMXWIY-UHFFFAOYSA-N
Compound name
[4-(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]+ 340.154336 180.4
[M+Na]+ 362.136278 183.2
[M-H]- 338.139784 187.8
[M+NH4]+ 357.180883 189.6
[M+K]+ 378.110218 181.0
[M+H-H2O]+ 322.144320 169.8
[M+HCOO]- 384.145261 196.6
[M+CH3COO]- 398.160911 208.6
[M+Na-2H]- 360.121726 182.4
[M]+ 339.14651142 178.8
[M]- 339.14760858 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.