CID 51051672

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7h-pyrazolo[3,4-b]pyridine hydrochloride

Structural Information

Molecular Formula
C12H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3)N=C2
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-8-6-15-16-10(8)14-7-9/h5-7H,1-4H3,(H,14,15,16)
InChIKey
TZNNEHGHACAHPF-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

245.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14084 149.9
[M+Na]+ 268.12278 161.9
[M-H]- 244.12628 155.0
[M+NH4]+ 263.16738 169.1
[M+K]+ 284.09672 160.4
[M+H-H2O]+ 228.13082 143.4
[M+HCOO]- 290.13176 168.0
[M+CH3COO]- 304.14741 163.5
[M+Na-2H]- 266.10823 155.8
[M]+ 245.13301 153.5
[M]- 245.13411 153.5
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