CID 216153

1-butanone, 4-(4-(2-(4-chlorophenoxy)ethyl)-1-piperazinyl)-1-(4-fluorophenyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H26ClFN2O2
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H26ClFN2O2/c23-19-5-9-21(10-6-19)28-17-16-26-14-12-25(13-15-26)11-1-2-22(27)18-3-7-20(24)8-4-18/h3-10H,1-2,11-17H2
InChIKey
WVSCFSWNHNFHKO-UHFFFAOYSA-N
Compound name
4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1667 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17398 197.1
[M+Na]+ 427.15592 201.6
[M-H]- 403.15942 200.8
[M+NH4]+ 422.20052 205.1
[M+K]+ 443.12986 194.4
[M+H-H2O]+ 387.16396 184.7
[M+HCOO]- 449.16490 206.7
[M+CH3COO]- 463.18055 221.7
[M+Na-2H]- 425.14137 195.8
[M]+ 404.16615 196.7
[M]- 404.16725 196.7
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.