CID 200699

Piperazine, 1-(4-(p-chlorophenoxy)butyl)-4-(2,3-xylyl)-, hydrochloride

Structural Information

Molecular Formula
C22H29ClN2O
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)CCCCOC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C22H29ClN2O/c1-18-6-5-7-22(19(18)2)25-15-13-24(14-16-25)12-3-4-17-26-21-10-8-20(23)9-11-21/h5-11H,3-4,12-17H2,1-2H3
InChIKey
VBAPREPQJJFHDL-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)butyl]-4-(2,3-dimethylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.19684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20412 193.3
[M+Na]+ 395.18606 198.9
[M-H]- 371.18956 198.6
[M+NH4]+ 390.23066 203.3
[M+K]+ 411.16000 191.6
[M+H-H2O]+ 355.19410 182.1
[M+HCOO]- 417.19504 204.6
[M+CH3COO]- 431.21069 218.2
[M+Na-2H]- 393.17151 192.9
[M]+ 372.19629 194.1
[M]- 372.19739 194.1
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.