CID 135503520

7-tert-butyl-5-p-tolyl-6,7-dihydro-5h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C16H21N5
SMILES
CC1=CC=C(C=C1)N2CN(C3=C(C2=N)C=NN3)C(C)(C)C
InChI
InChI=1S/C16H21N5/c1-11-5-7-12(8-6-11)20-10-21(16(2,3)4)15-13(14(20)17)9-18-19-15/h5-9,17H,10H2,1-4H3,(H,18,19)
InChIKey
FIUGIHSMYBTREC-UHFFFAOYSA-N
Compound name
7-tert-butyl-5-(4-methylphenyl)-1,6-dihydropyrazolo[3,4-d]pyrimidin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

222
Patents

283.1797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18698 169.4
[M+Na]+ 306.16892 181.5
[M+NH4]+ 301.21352 175.9
[M+K]+ 322.14286 177.3
[M-H]- 282.17242 171.0
[M+Na-2H]- 304.15437 174.5
[M]+ 283.17915 171.4
[M]- 283.18025 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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