CID 57457

Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H21FN2O
SMILES
CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H21FN2O/c1-17-9-11-18(12-10-17)8-2-3-15(19)13-4-6-14(16)7-5-13/h4-7H,2-3,8-12H2,1H3
InChIKey
MZWZUSDMMNOMQQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

264.1638 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17108 163.2
[M+Na]+ 287.15302 168.2
[M-H]- 263.15652 164.6
[M+NH4]+ 282.19762 176.7
[M+K]+ 303.12696 164.2
[M+H-H2O]+ 247.16106 153.0
[M+HCOO]- 309.16200 178.5
[M+CH3COO]- 323.17765 198.4
[M+Na-2H]- 285.13847 164.4
[M]+ 264.16325 159.1
[M]- 264.16435 159.1
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