CID 336903

76982-40-6

Structural Information

Molecular Formula
C11H10N6
SMILES
CC1=NN(C2=NC=NC(=C12)N)C3=CC=CC=N3
InChI
InChI=1S/C11H10N6/c1-7-9-10(12)14-6-15-11(9)17(16-7)8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14,15)
InChIKey
JYKWCVYAMNCBPO-UHFFFAOYSA-N
Compound name
3-methyl-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.103976 150.4
[M+Na]+ 249.085918 162.9
[M-H]- 225.089424 152.5
[M+NH4]+ 244.130523 164.4
[M+K]+ 265.059858 157.0
[M+H-H2O]+ 209.093960 140.2
[M+HCOO]- 271.094901 171.4
[M+CH3COO]- 285.110551 162.7
[M+Na-2H]- 247.071366 158.5
[M]+ 226.09615142 151.6
[M]- 226.09724858 151.6
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

No patent data available for this compound.