CID 393584

Nsc695655

Structural Information

Molecular Formula
C22H20Cl4N4
SMILES
C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H20Cl4N4/c23-16-6-4-15(5-7-16)18(13-14-2-1-3-17(24)12-14)19-20(25)28-22(29-21(19)26)30-10-8-27-9-11-30/h1-7,12,18,27H,8-11,13H2
InChIKey
XJNSDCGPKMHVLU-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.04422 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.05150 202.1
[M+Na]+ 503.03344 208.3
[M-H]- 479.03694 202.5
[M+NH4]+ 498.07804 204.5
[M+K]+ 519.00738 199.3
[M+H-H2O]+ 463.04148 188.7
[M+HCOO]- 525.04242 193.3
[M+CH3COO]- 539.05807 205.8
[M+Na-2H]- 501.01889 199.2
[M]+ 480.04367 199.3
[M]- 480.04477 199.3
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.