CID 3659259

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

Structural Information

Molecular Formula
C20H25N5
SMILES
CC1CC(CN(C1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)C)C
InChI
InChI=1S/C20H25N5/c1-14-4-6-17(7-5-14)12-25-20-18(9-23-25)19(21-13-22-20)24-10-15(2)8-16(3)11-24/h4-7,9,13,15-16H,8,10-12H2,1-3H3
InChIKey
KQUHRRWPAODPTP-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.211 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 186.8
[M+Na]+ 358.20022 195.9
[M-H]- 334.20372 190.8
[M+NH4]+ 353.24482 196.4
[M+K]+ 374.17416 188.2
[M+H-H2O]+ 318.20826 174.1
[M+HCOO]- 380.20920 200.9
[M+CH3COO]- 394.22485 195.6
[M+Na-2H]- 356.18567 187.5
[M]+ 335.21045 186.2
[M]- 335.21155 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.