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 184.4
[M+Na]+ 358.20022 200.9
[M+NH4]+ 353.24482 191.9
[M+K]+ 374.17416 193.8
[M-H]- 334.20372 189.1
[M+Na-2H]- 356.18567 192.7
[M]+ 335.21045 188.2
[M]- 335.21155 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.