CID 2944971

1-(4-chlorobenzyl)-4-(3,5-dimethylpiperidin-1-yl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C19H22ClN5
SMILES
CC1CC(CN(C1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C19H22ClN5/c1-13-7-14(2)10-24(9-13)18-17-8-23-25(19(17)22-12-21-18)11-15-3-5-16(20)6-4-15/h3-6,8,12-14H,7,9-11H2,1-2H3
InChIKey
ZPPPJFXHLVGGCO-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

355.15637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16365 186.0
[M+Na]+ 378.14559 203.5
[M+NH4]+ 373.19019 193.8
[M+K]+ 394.11953 195.7
[M-H]- 354.14909 190.7
[M+Na-2H]- 376.13104 194.5
[M]+ 355.15582 190.3
[M]- 355.15692 190.3
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.