CID 18367

Dechloro haloperidol

Structural Information

Molecular Formula
C21H24FNO2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
InChIKey
FEFFZKPQSVTBAY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2
Patents

341.1791 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18638 185.5
[M+Na]+ 364.16832 198.0
[M+NH4]+ 359.21292 193.9
[M+K]+ 380.14226 187.8
[M-H]- 340.17182 189.3
[M+Na-2H]- 362.15377 194.5
[M]+ 341.17855 188.4
[M]- 341.17965 188.4
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