CID 58377495

1314734-56-9

Structural Information

Molecular Formula
C17H24BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N(N=C3)C4CCCCO4
InChI
InChI=1S/C17H24BN3O3/c1-16(2)17(3,4)24-18(23-16)13-9-12-10-20-21(15(12)19-11-13)14-7-5-6-8-22-14/h9-11,14H,5-8H2,1-4H3
InChIKey
PWUFRTQSKRKUET-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

329.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19835 173.5
[M+Na]+ 352.18029 182.9
[M-H]- 328.18379 182.6
[M+NH4]+ 347.22489 188.0
[M+K]+ 368.15423 182.6
[M+H-H2O]+ 312.18833 165.4
[M+HCOO]- 374.18927 187.4
[M+CH3COO]- 388.20492 185.0
[M+Na-2H]- 350.16574 175.4
[M]+ 329.19052 176.0
[M]- 329.19162 176.0
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