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]+ 345.17281 183.7
[M+Na]+ 367.15475 188.2
[M-H]- 343.15825 188.5
[M+NH4]+ 362.19935 194.2
[M+K]+ 383.12869 181.3
[M+H-H2O]+ 327.16279 172.3
[M+HCOO]- 389.16373 195.6
[M+CH3COO]- 403.17938 191.9
[M+Na-2H]- 365.14020 185.8
[M]+ 344.16498 182.9
[M]- 344.16608 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.