CID 141489394

1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazolo[4,3-b]pyridine

Structural Information

Molecular Formula
C14H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=NN3C)C)N=C2
InChI
InChI=1S/C14H20BN3O2/c1-9-12-11(18(6)17-9)7-10(8-16-12)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChIKey
IHQUMFLAMSIDRL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

273.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.172136 157.1
[M+Na]+ 296.154078 170.4
[M-H]- 272.157584 163.9
[M+NH4]+ 291.198683 176.5
[M+K]+ 312.128018 169.2
[M+H-H2O]+ 256.162120 150.8
[M+HCOO]- 318.163061 175.9
[M+CH3COO]- 332.178711 171.2
[M+Na-2H]- 294.139526 161.2
[M]+ 273.16431142 163.9
[M]- 273.16540858 163.9
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