CID 3065515

Piperazine, 1-(bis(p-chlorophenyl)methyl)-4-methyl-, dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
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

literature stripe

Patent stripe

patents stripe