CID 662023

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

Structural Information

Molecular Formula
C18H20ClN5
SMILES
CC1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H20ClN5/c1-13-6-8-23(9-7-13)17-16-10-22-24(18(16)21-12-20-17)11-14-2-4-15(19)5-3-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKey
SBHWYXLDNBJAHX-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

341.14072 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14800 182.8
[M+Na]+ 364.12994 192.5
[M-H]- 340.13344 186.2
[M+NH4]+ 359.17454 192.6
[M+K]+ 380.10388 184.0
[M+H-H2O]+ 324.13798 169.9
[M+HCOO]- 386.13892 192.8
[M+CH3COO]- 400.15457 191.6
[M+Na-2H]- 362.11539 184.8
[M]+ 341.14017 183.0
[M]- 341.14127 183.0
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.