CID 89154211

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

Structural Information

Molecular Formula
C7H9N5
SMILES
CCC1=C2C(=NC=NC2=NN1)N
InChI
InChI=1S/C7H9N5/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKey
MYOSJPRSRNFNSQ-UHFFFAOYSA-N
Compound name
3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

163.0858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 133.1
[M+Na]+ 186.075018 144.7
[M-H]- 162.078524 131.7
[M+NH4]+ 181.119623 150.7
[M+K]+ 202.048958 140.4
[M+H-H2O]+ 146.083060 125.2
[M+HCOO]- 208.084001 154.1
[M+CH3COO]- 222.099651 146.1
[M+Na-2H]- 184.060466 141.4
[M]+ 163.08525142 132.8
[M]- 163.08634858 132.8
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