CID 77231421

1187968-53-1

Structural Information

Molecular Formula
C14H20BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=NN3C)N
InChI
InChI=1S/C14H20BN3O2/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)18(5)17-12(10)16/h6-8H,1-5H3,(H2,16,17)
InChIKey
NPYXIOBDWVFSSF-UHFFFAOYSA-N
Compound name
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.16486 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17214 158.2
[M+Na]+ 296.15408 170.7
[M-H]- 272.15758 166.0
[M+NH4]+ 291.19868 178.4
[M+K]+ 312.12802 169.1
[M+H-H2O]+ 256.16212 152.7
[M+HCOO]- 318.16306 178.7
[M+CH3COO]- 332.17871 172.2
[M+Na-2H]- 294.13953 162.4
[M]+ 273.16431 163.0
[M]- 273.16541 163.0
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