CID 200729

Piperazine, 1-(4-(p-chlorophenoxy)butyl)-4-phenyl-

Structural Information

Molecular Formula
C20H25ClN2O
SMILES
C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H25ClN2O/c21-18-8-10-20(11-9-18)24-17-5-4-12-22-13-15-23(16-14-22)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17H2
InChIKey
NSRSREPEIDDDQM-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)butyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.16553 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.172806 183.7
[M+Na]+ 367.154748 188.2
[M-H]- 343.158254 188.5
[M+NH4]+ 362.199353 194.2
[M+K]+ 383.128688 181.3
[M+H-H2O]+ 327.162790 172.3
[M+HCOO]- 389.163731 195.6
[M+CH3COO]- 403.179381 191.9
[M+Na-2H]- 365.140196 185.8
[M]+ 344.16498142 182.9
[M]- 344.16607858 182.9
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.