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

63
Patents

163.0858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 133.1
[M+Na]+ 186.07502 144.7
[M-H]- 162.07852 131.7
[M+NH4]+ 181.11962 150.7
[M+K]+ 202.04896 140.4
[M+H-H2O]+ 146.08306 125.2
[M+HCOO]- 208.08400 154.1
[M+CH3COO]- 222.09965 146.1
[M+Na-2H]- 184.06047 141.4
[M]+ 163.08525 132.8
[M]- 163.08635 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