CID 468588

2-[1-(4-methylpiperazinyl)]-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C23H23Cl3N4
SMILES
CN1CCN(CC1)C2=NC(=C(C(=N2)Cl)C(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H23Cl3N4/c1-29-11-13-30(14-12-29)23-27-21(25)20(22(26)28-23)19(15-16-5-3-2-4-6-16)17-7-9-18(24)10-8-17/h2-10,19H,11-15H2,1H3
InChIKey
PKKPDZBYFVJYSV-UHFFFAOYSA-N
Compound name
4,6-dichloro-5-[1-(4-chlorophenyl)-2-phenylethyl]-2-(4-methylpiperazin-1-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.09882 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.10610 205.0
[M+Na]+ 483.08804 211.7
[M-H]- 459.09154 208.3
[M+NH4]+ 478.13264 208.7
[M+K]+ 499.06198 202.5
[M+H-H2O]+ 443.09608 190.7
[M+HCOO]- 505.09702 202.4
[M+CH3COO]- 519.11267 210.1
[M+Na-2H]- 481.07349 202.8
[M]+ 460.09827 204.4
[M]- 460.09937 204.4
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.