CID 11997900

1-(pyridin-4-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C10H8N6
SMILES
C1=CN=CC=C1N2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C10H8N6/c11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7/h1-6H,(H2,11,13,14)
InChIKey
LMTNNXVTUBZZGB-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

212.08104 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.088316 144.6
[M+Na]+ 235.070258 156.6
[M-H]- 211.073764 146.4
[M+NH4]+ 230.114863 158.8
[M+K]+ 251.044198 151.0
[M+H-H2O]+ 195.078300 134.4
[M+HCOO]- 257.079241 165.9
[M+CH3COO]- 271.094891 157.1
[M+Na-2H]- 233.055706 154.1
[M]+ 212.08049142 145.0
[M]- 212.08158858 145.0
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

patents stripe