CID 69454529

947191-19-7

Structural Information

Molecular Formula
C16H21BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C(=O)OCC
InChI
InChI=1S/C16H21BN2O4/c1-6-21-14(20)13-11-9-10(7-8-12(11)18-19-13)17-22-15(2,3)16(4,5)23-17/h7-9H,6H2,1-5H3,(H,18,19)
InChIKey
WGBOIRLHBDFLAS-UHFFFAOYSA-N
Compound name
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

316.15942 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16670 168.6
[M+Na]+ 339.14864 179.4
[M-H]- 315.15214 175.0
[M+NH4]+ 334.19324 186.4
[M+K]+ 355.12258 178.3
[M+H-H2O]+ 299.15668 163.3
[M+HCOO]- 361.15762 186.1
[M+CH3COO]- 375.17327 203.3
[M+Na-2H]- 337.13409 171.7
[M]+ 316.15887 175.0
[M]- 316.15997 175.0
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