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 182.0
[M+Na]+ 366.14762 185.6
[M-H]- 342.15112 188.3
[M+NH4]+ 361.19222 191.4
[M+K]+ 382.12156 182.8
[M+H-H2O]+ 326.15566 170.6
[M+HCOO]- 388.15660 196.7
[M+CH3COO]- 402.17225 211.7
[M+Na-2H]- 364.13307 182.5
[M]+ 343.15785 179.2
[M]- 343.15895 179.2
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.