CID 3044060

1-piperazinecarboxamide, n,n-dimethyl-4-(4-(4-fluorophenyl)-4-oxobutyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H24FN3O2
SMILES
CN(C)C(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H24FN3O2/c1-19(2)17(23)21-12-10-20(11-13-21)9-3-4-16(22)14-5-7-15(18)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKey
LNSZVTFTZHCAML-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.18524 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19252 177.6
[M+Na]+ 344.17446 181.0
[M-H]- 320.17796 180.2
[M+NH4]+ 339.21906 188.9
[M+K]+ 360.14840 178.4
[M+H-H2O]+ 304.18250 166.6
[M+HCOO]- 366.18344 193.2
[M+CH3COO]- 380.19909 213.5
[M+Na-2H]- 342.15991 176.5
[M]+ 321.18469 174.7
[M]- 321.18579 174.7
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.