CID 1521531

1-(4-chlorobenzyl)-4-(4-phenethylpiperazin-1-yl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C24H25ClN6
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=NC=NC4=C3C=NN4CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H25ClN6/c25-21-8-6-20(7-9-21)17-31-24-22(16-28-31)23(26-18-27-24)30-14-12-29(13-15-30)11-10-19-4-2-1-3-5-19/h1-9,16,18H,10-15,17H2
InChIKey
LXOGWQSLJQCMLU-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.18292 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.19020 206.4
[M+Na]+ 455.17214 214.2
[M-H]- 431.17564 210.7
[M+NH4]+ 450.21674 210.1
[M+K]+ 471.14608 203.6
[M+H-H2O]+ 415.18018 190.3
[M+HCOO]- 477.18112 213.7
[M+CH3COO]- 491.19677 212.3
[M+Na-2H]- 453.15759 207.2
[M]+ 432.18237 206.0
[M]- 432.18347 206.0
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.