CID 648630

1-propanone, 1-(3-fluoro-4-methoxyphenyl)-3-(4-morpholinyl)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula
C20H22FNO3
SMILES
COC1=C(C=C(C=C1)C(=O)C(CN2CCOCC2)C3=CC=CC=C3)F
InChI
InChI=1S/C20H22FNO3/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22/h2-8,13,17H,9-12,14H2,1H3
InChIKey
AINAOBMDRLIACD-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

343.1584 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16568 183.9
[M+Na]+ 366.14762 196.5
[M+NH4]+ 361.19222 190.5
[M+K]+ 382.12156 189.5
[M-H]- 342.15112 188.9
[M+Na-2H]- 364.13307 190.9
[M]+ 343.15785 187.0
[M]- 343.15895 187.0
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.