CID 3059680

76981-48-1

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC(C(=O)N1CCOCC1)OC2=CC=CC(=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c1-15(20(23)21-10-12-24-13-11-21)25-18-9-5-8-17(14-18)19(22)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
InChIKey
RFWZZNQMRLRIKJ-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenoxy)-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.1
[M+Na]+ 362.13628 182.6
[M-H]- 338.13978 187.5
[M+NH4]+ 357.18088 189.2
[M+K]+ 378.11022 180.9
[M+H-H2O]+ 322.14432 169.7
[M+HCOO]- 384.14526 195.3
[M+CH3COO]- 398.16091 209.6
[M+Na-2H]- 360.12173 180.9
[M]+ 339.14651 178.0
[M]- 339.14761 178.0
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.