CID 53425654

En300-39882764

Structural Information

Molecular Formula
C15H21BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NN=C3C=C2)CC
InChI
InChI=1S/C15H21BN2O2/c1-6-12-11-9-10(7-8-13(11)18-17-12)16-19-14(2,3)15(4,5)20-16/h7-9H,6H2,1-5H3,(H,17,18)
InChIKey
QTQOMKBLCGMCNK-UHFFFAOYSA-N
Compound name
3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.176896 158.8
[M+Na]+ 295.158838 170.3
[M-H]- 271.162344 165.1
[M+NH4]+ 290.203443 178.6
[M+K]+ 311.132778 168.2
[M+H-H2O]+ 255.166880 153.2
[M+HCOO]- 317.167821 177.1
[M+CH3COO]- 331.183471 172.1
[M+Na-2H]- 293.144286 162.9
[M]+ 272.16907142 163.2
[M]- 272.17016858 163.2
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