CID 1400

1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine

Structural Information

Molecular Formula
C16H19N5
SMILES
CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C
InChI
InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
InChIKey
ZVPDNRVYHLRXLX-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

469
Patents

281.16403 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17131 171.2
[M+Na]+ 304.15325 182.7
[M-H]- 280.15675 174.7
[M+NH4]+ 299.19785 184.9
[M+K]+ 320.12719 176.6
[M+H-H2O]+ 264.16129 161.8
[M+HCOO]- 326.16223 190.2
[M+CH3COO]- 340.17788 182.6
[M+Na-2H]- 302.13870 176.6
[M]+ 281.16348 173.3
[M]- 281.16458 173.3
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