CID 567260

1-(2,3'-dichlorobenzhydryl)-4-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C18H20Cl2N2
SMILES
CN1CCN(CC1)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H20Cl2N2/c1-21-9-11-22(12-10-21)18(14-5-4-6-15(19)13-14)16-7-2-3-8-17(16)20/h2-8,13,18H,9-12H2,1H3
InChIKey
UYUKSGQLYHPHCQ-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)-(3-chlorophenyl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10034 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10762 176.8
[M+Na]+ 357.08956 183.4
[M-H]- 333.09306 181.6
[M+NH4]+ 352.13416 188.6
[M+K]+ 373.06350 175.8
[M+H-H2O]+ 317.09760 166.8
[M+HCOO]- 379.09854 183.2
[M+CH3COO]- 393.11419 185.6
[M+Na-2H]- 355.07501 177.4
[M]+ 334.09979 175.3
[M]- 334.10089 175.3
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

patents stripe