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[5,4-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]+ 356.163646 188.3
[M+Na]+ 378.145588 198.4
[M-H]- 354.149094 192.0
[M+NH4]+ 373.190193 197.9
[M+K]+ 394.119528 189.8
[M+H-H2O]+ 338.153630 175.5
[M+HCOO]- 400.154571 197.9
[M+CH3COO]- 414.170221 197.0
[M+Na-2H]- 376.131036 188.9
[M]+ 355.15582142 189.3
[M]- 355.15691858 189.3
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.