CID 115493

1-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)-4-(2-pyrimidyl)piperazine dimaleate

Structural Information

Molecular Formula
C23H26ClN5
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CC=N4
InChI
InChI=1S/C23H26ClN5/c24-21-9-7-20(8-10-21)22(19-5-2-1-3-6-19)25-13-14-28-15-17-29(18-16-28)23-26-11-4-12-27-23/h1-12,22,25H,13-18H2
InChIKey
PISNHAJIQOQFOU-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.18768 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19496 197.8
[M+Na]+ 430.17690 201.0
[M-H]- 406.18040 202.5
[M+NH4]+ 425.22150 201.7
[M+K]+ 446.15084 192.1
[M+H-H2O]+ 390.18494 183.1
[M+HCOO]- 452.18588 206.8
[M+CH3COO]- 466.20153 203.4
[M+Na-2H]- 428.16235 200.7
[M]+ 407.18713 193.7
[M]- 407.18823 193.7
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.