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]+ 275.15614 157.1
[M+Na]+ 297.13808 168.9
[M-H]- 273.14158 163.7
[M+NH4]+ 292.18268 176.8
[M+K]+ 313.11202 167.6
[M+H-H2O]+ 257.14612 151.7
[M+HCOO]- 319.14706 175.9
[M+CH3COO]- 333.16271 170.8
[M+Na-2H]- 295.12353 162.0
[M]+ 274.14831 162.7
[M]- 274.14941 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.