CID 221093

1,6-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H9N5
SMILES
CC1=NC(=C2C=NN(C2=N1)C)N
InChI
InChI=1S/C7H9N5/c1-4-10-6(8)5-3-9-12(2)7(5)11-4/h3H,1-2H3,(H2,8,10,11)
InChIKey
UPZKDMZTYWNVST-UHFFFAOYSA-N
Compound name
1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

163.0858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09308 133.4
[M+Na]+ 186.07502 146.4
[M-H]- 162.07852 133.7
[M+NH4]+ 181.11962 152.0
[M+K]+ 202.04896 142.9
[M+H-H2O]+ 146.08306 125.5
[M+HCOO]- 208.08400 155.9
[M+CH3COO]- 222.09965 147.4
[M+Na-2H]- 184.06047 141.3
[M]+ 163.08525 135.2
[M]- 163.08635 135.2
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