CID 15888

Butyrophenone, 4'-fluoro-4-(4-morpholino-4-propionylpiperidino)-, dihydrochloride

Structural Information

Molecular Formula
C22H31FN2O3
SMILES
CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCOCC3
InChI
InChI=1S/C22H31FN2O3/c1-2-21(27)22(25-14-16-28-17-15-25)9-12-24(13-10-22)11-3-4-20(26)18-5-7-19(23)8-6-18/h5-8H,2-4,9-17H2,1H3
InChIKey
PLCMLWPWSFBZEX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-morpholin-4-yl-4-propanoylpiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.23187 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23915 197.4
[M+Na]+ 413.22109 198.3
[M-H]- 389.22459 201.0
[M+NH4]+ 408.26569 205.2
[M+K]+ 429.19503 195.4
[M+H-H2O]+ 373.22913 185.2
[M+HCOO]- 435.23007 205.9
[M+CH3COO]- 449.24572 220.2
[M+Na-2H]- 411.20654 194.9
[M]+ 390.23132 191.1
[M]- 390.23242 191.1
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.