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]+ 213.08832 144.6
[M+Na]+ 235.07026 156.6
[M-H]- 211.07376 146.4
[M+NH4]+ 230.11486 158.8
[M+K]+ 251.04420 151.0
[M+H-H2O]+ 195.07830 134.4
[M+HCOO]- 257.07924 165.9
[M+CH3COO]- 271.09489 157.1
[M+Na-2H]- 233.05571 154.1
[M]+ 212.08049 145.0
[M]- 212.08159 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