CID 208587

3-(morpholin-4-yl)-1,2-diphenylpropan-1-one

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c21-19(17-9-5-2-6-10-17)18(16-7-3-1-4-8-16)15-20-11-13-22-14-12-20/h1-10,18H,11-15H2
InChIKey
MFEJFAWVQXBYRU-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

295.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.7
[M+Na]+ 318.14645 172.9
[M-H]- 294.14995 177.7
[M+NH4]+ 313.19105 181.5
[M+K]+ 334.12039 170.1
[M+H-H2O]+ 278.15449 160.4
[M+HCOO]- 340.15543 186.6
[M+CH3COO]- 354.17108 179.8
[M+Na-2H]- 316.13190 173.7
[M]+ 295.15668 166.3
[M]- 295.15778 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe