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]+ 274.172136 158.2
[M+Na]+ 296.154078 170.7
[M-H]- 272.157584 166.0
[M+NH4]+ 291.198683 178.4
[M+K]+ 312.128018 169.1
[M+H-H2O]+ 256.162120 152.7
[M+HCOO]- 318.163061 178.7
[M+CH3COO]- 332.178711 172.2
[M+Na-2H]- 294.139526 162.4
[M]+ 273.16431142 163.0
[M]- 273.16540858 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