CID 57375998

1-ethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H9N5
SMILES
CCN1C2=NC=NC(=C2C=N1)N
InChI
InChI=1S/C7H9N5/c1-2-12-7-5(3-11-12)6(8)9-4-10-7/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey
ZKQQZCHGRXLMOI-UHFFFAOYSA-N
Compound name
1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

163.0858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 132.6
[M+Na]+ 186.075018 144.6
[M-H]- 162.078524 132.5
[M+NH4]+ 181.119623 150.9
[M+K]+ 202.048958 141.1
[M+H-H2O]+ 146.083060 124.3
[M+HCOO]- 208.084001 155.1
[M+CH3COO]- 222.099651 146.2
[M+Na-2H]- 184.060466 141.3
[M]+ 163.08525142 134.0
[M]- 163.08634858 134.0
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