CID 134828370

3-(oxan-4-yl)-1h-pyrazolo[3,4-b]pyridin-5-amine

Structural Information

Molecular Formula
C11H14N4O
SMILES
C1COCCC1C2=C3C=C(C=NC3=NN2)N
InChI
InChI=1S/C11H14N4O/c12-8-5-9-10(7-1-3-16-4-2-7)14-15-11(9)13-6-8/h5-7H,1-4,12H2,(H,13,14,15)
InChIKey
LERBNMHFJHNTJJ-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-2H-pyrazolo[3,4-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 146.9
[M+Na]+ 241.10598 154.9
[M-H]- 217.10948 149.4
[M+NH4]+ 236.15058 161.4
[M+K]+ 257.07992 151.1
[M+H-H2O]+ 201.11402 138.0
[M+HCOO]- 263.11496 164.2
[M+CH3COO]- 277.13061 158.2
[M+Na-2H]- 239.09143 152.9
[M]+ 218.11621 142.6
[M]- 218.11731 142.6
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.