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]+ 227.10398 150.4
[M+Na]+ 249.08592 162.9
[M-H]- 225.08942 152.5
[M+NH4]+ 244.13052 164.4
[M+K]+ 265.05986 157.0
[M+H-H2O]+ 209.09396 140.2
[M+HCOO]- 271.09490 171.4
[M+CH3COO]- 285.11055 162.7
[M+Na-2H]- 247.07137 158.5
[M]+ 226.09615 151.6
[M]- 226.09725 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.