CID 158037941

7-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indazole

Structural Information

Molecular Formula
C14H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)OC)NN=C3
InChI
InChI=1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-9-8-16-17-12(9)11(7-10)18-5/h6-8H,1-5H3,(H,16,17)
InChIKey
FHZLGNNXXAQTGL-UHFFFAOYSA-N
Compound name
7-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.156136 157.1
[M+Na]+ 297.138078 168.9
[M-H]- 273.141584 163.7
[M+NH4]+ 292.182683 176.8
[M+K]+ 313.112018 167.6
[M+H-H2O]+ 257.146120 151.7
[M+HCOO]- 319.147061 175.9
[M+CH3COO]- 333.162711 170.8
[M+Na-2H]- 295.123526 162.0
[M]+ 274.14831142 162.7
[M]- 274.14940858 162.7
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

No patent data available for this compound.