CID 3044062

Piperazine, 1-(4-(4-fluorophenyl)-4-oxobutyl)-4-(1-oxopropyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H23FN2O2
SMILES
CCC(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FN2O2/c1-2-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3
InChIKey
ITVOKEVXSQSIGH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17435 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18163 174.0
[M+Na]+ 329.16357 178.1
[M-H]- 305.16707 175.2
[M+NH4]+ 324.20817 185.6
[M+K]+ 345.13751 174.1
[M+H-H2O]+ 289.17161 163.5
[M+HCOO]- 351.17255 188.1
[M+CH3COO]- 365.18820 205.8
[M+Na-2H]- 327.14902 173.1
[M]+ 306.17380 170.6
[M]- 306.17490 170.6
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.