CID 115462

1-(3-(p-chlorophenyl)-3-phenylpropyl)-4-(2-pyrimidyl)piperazine maleate

Structural Information

Molecular Formula
C23H25ClN4
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4
InChI
InChI=1S/C23H25ClN4/c24-21-9-7-20(8-10-21)22(19-5-2-1-3-6-19)11-14-27-15-17-28(18-16-27)23-25-12-4-13-26-23/h1-10,12-13,22H,11,14-18H2
InChIKey
GWUSSHCYAMRPCH-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1768 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18408 195.8
[M+Na]+ 415.16602 199.8
[M-H]- 391.16952 200.4
[M+NH4]+ 410.21062 200.5
[M+K]+ 431.13996 190.8
[M+H-H2O]+ 375.17406 181.0
[M+HCOO]- 437.17500 203.5
[M+CH3COO]- 451.19065 201.8
[M+Na-2H]- 413.15147 197.6
[M]+ 392.17625 192.0
[M]- 392.17735 192.0
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.