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 158.8
[M+Na]+ 274.13261 163.9
[M-H]- 250.13611 160.1
[M+NH4]+ 269.17721 172.3
[M+K]+ 290.10655 160.0
[M+H-H2O]+ 234.14065 148.8
[M+HCOO]- 296.14159 175.3
[M+CH3COO]- 310.15724 196.0
[M+Na-2H]- 272.11806 160.6
[M]+ 251.14284 152.3
[M]- 251.14394 152.3
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.