CID 24865390

1-tert-butyl-3-(3-methylbenzyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C17H21N5
SMILES
CC1=CC(=CC=C1)CC2=NN(C3=NC=NC(=C23)N)C(C)(C)C
InChI
InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
InChIKey
FYCOTGCSHZKHPR-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

37
Patents

295.1797 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 175.7
[M+Na]+ 318.16892 186.7
[M-H]- 294.17242 178.9
[M+NH4]+ 313.21352 188.8
[M+K]+ 334.14286 180.4
[M+H-H2O]+ 278.17696 166.0
[M+HCOO]- 340.17790 194.3
[M+CH3COO]- 354.19355 186.6
[M+Na-2H]- 316.15437 180.5
[M]+ 295.17915 178.1
[M]- 295.18025 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe