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

2
Patents

272.16962 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17690 158.8
[M+Na]+ 295.15884 170.3
[M-H]- 271.16234 165.1
[M+NH4]+ 290.20344 178.6
[M+K]+ 311.13278 168.2
[M+H-H2O]+ 255.16688 153.2
[M+HCOO]- 317.16782 177.1
[M+CH3COO]- 331.18347 172.1
[M+Na-2H]- 293.14429 162.9
[M]+ 272.16907 163.2
[M]- 272.17017 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