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 181.0
[M+Na]+ 364.12994 198.4
[M+NH4]+ 359.17454 189.0
[M+K]+ 380.10388 190.5
[M-H]- 340.13344 185.7
[M+Na-2H]- 362.11539 190.0
[M]+ 341.14017 185.2
[M]- 341.14127 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.