CID 830185

N-(4-ethylphenyl)-1-(4-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C21H21N5
SMILES
CCC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)CC4=CC=C(C=C4)C
InChI
InChI=1S/C21H21N5/c1-3-16-8-10-18(11-9-16)25-20-19-12-24-26(21(19)23-14-22-20)13-17-6-4-15(2)5-7-17/h4-12,14H,3,13H2,1-2H3,(H,22,23,25)
InChIKey
HJOMKKWSQGXGQX-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1797 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18698 184.2
[M+Na]+ 366.16892 201.8
[M+NH4]+ 361.21352 191.9
[M+K]+ 382.14286 193.8
[M-H]- 342.17242 190.4
[M+Na-2H]- 364.15437 195.2
[M]+ 343.17915 188.7
[M]- 343.18025 188.7
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.