CID 20116332

3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one dihydrochloride

Structural Information

Molecular Formula
C13H18FN3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN
InChI
InChI=1S/C13H18FN3O/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5-10,15H2
InChIKey
AKKXVWGEPWZYQC-UHFFFAOYSA-N
Compound name
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14339 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15067 159.0
[M+Na]+ 274.13261 169.2
[M+NH4]+ 269.17721 165.4
[M+K]+ 290.10655 163.1
[M-H]- 250.13611 160.4
[M+Na-2H]- 272.11806 164.3
[M]+ 251.14284 160.4
[M]- 251.14394 160.4
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.