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

19
Patents

163.0858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 132.6
[M+Na]+ 186.07502 144.6
[M-H]- 162.07852 132.5
[M+NH4]+ 181.11962 150.9
[M+K]+ 202.04896 141.1
[M+H-H2O]+ 146.08306 124.3
[M+HCOO]- 208.08400 155.1
[M+CH3COO]- 222.09965 146.2
[M+Na-2H]- 184.06047 141.3
[M]+ 163.08525 134.0
[M]- 163.08635 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