CID 1542114

4-(4-cyclopentylpiperazin-1-yl)-1-(4-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C22H28N6
SMILES
CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5CCCC5
InChI
InChI=1S/C22H28N6/c1-17-6-8-18(9-7-17)15-28-22-20(14-25-28)21(23-16-24-22)27-12-10-26(11-13-27)19-4-2-3-5-19/h6-9,14,16,19H,2-5,10-13,15H2,1H3
InChIKey
YGHFZWJEXOQQJM-UHFFFAOYSA-N
Compound name
4-(4-cyclopentylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

376.23755 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24483 193.7
[M+Na]+ 399.22677 199.9
[M-H]- 375.23027 199.0
[M+NH4]+ 394.27137 201.0
[M+K]+ 415.20071 192.0
[M+H-H2O]+ 359.23481 179.5
[M+HCOO]- 421.23575 205.1
[M+CH3COO]- 435.25140 200.7
[M+Na-2H]- 397.21222 190.6
[M]+ 376.23700 189.4
[M]- 376.23810 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.