CID 3044064

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

Structural Information

Molecular Formula
C22H33FN2O2
SMILES
CCCCCCCC(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C22H33FN2O2/c1-2-3-4-5-6-9-22(27)25-17-15-24(16-18-25)14-7-8-21(26)19-10-12-20(23)13-11-19/h10-13H,2-9,14-18H2,1H3
InChIKey
ARPNIGPHEOLHLT-UHFFFAOYSA-N
Compound name
1-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]octan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25988 196.3
[M+Na]+ 399.24182 198.1
[M-H]- 375.24532 196.4
[M+NH4]+ 394.28642 204.9
[M+K]+ 415.21576 193.0
[M+H-H2O]+ 359.24986 184.7
[M+HCOO]- 421.25080 208.6
[M+CH3COO]- 435.26645 220.6
[M+Na-2H]- 397.22727 192.7
[M]+ 376.25205 194.6
[M]- 376.25315 194.6
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.