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 184.5
[M+Na]+ 366.16892 194.4
[M-H]- 342.17242 190.6
[M+NH4]+ 361.21352 194.8
[M+K]+ 382.14286 186.2
[M+H-H2O]+ 326.17696 172.3
[M+HCOO]- 388.17790 205.1
[M+CH3COO]- 402.19355 194.6
[M+Na-2H]- 364.15437 189.8
[M]+ 343.17915 187.0
[M]- 343.18025 187.0
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.