CID 413327

1,4-bis[(4-chlorophenyl)phenylmethyl]piperazine

Structural Information

Molecular Formula
C30H28Cl2N2
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H28Cl2N2/c31-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)33-19-21-34(22-20-33)30(24-9-5-2-6-10-24)26-13-17-28(32)18-14-26/h1-18,29-30H,19-22H2
InChIKey
ZHKWYPRSELVIIG-UHFFFAOYSA-N
Compound name
1,4-bis[(4-chlorophenyl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

486.16296 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.17024 217.4
[M+Na]+ 509.15218 220.6
[M-H]- 485.15568 226.3
[M+NH4]+ 504.19678 221.1
[M+K]+ 525.12612 210.4
[M+H-H2O]+ 469.16022 202.8
[M+HCOO]- 531.16116 220.7
[M+CH3COO]- 545.17681 222.2
[M+Na-2H]- 507.13763 215.1
[M]+ 486.16241 214.3
[M]- 486.16351 214.3
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.