CID 207712

Bis-(m-chlorophenylpiperazino)-methane

Structural Information

Molecular Formula
C21H26Cl2N4
SMILES
C1CN(CCN1CN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H26Cl2N4/c22-18-3-1-5-20(15-18)26-11-7-24(8-12-26)17-25-9-13-27(14-10-25)21-6-2-4-19(23)16-21/h1-6,15-16H,7-14,17H2
InChIKey
MZAJTJOMSOORSE-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

404.15344 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16072 198.7
[M+Na]+ 427.14266 202.9
[M-H]- 403.14616 202.2
[M+NH4]+ 422.18726 203.9
[M+K]+ 443.11660 194.1
[M+H-H2O]+ 387.15070 184.0
[M+HCOO]- 449.15164 198.8
[M+CH3COO]- 463.16729 203.8
[M+Na-2H]- 425.12811 196.8
[M]+ 404.15289 192.8
[M]- 404.15399 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe