CID 46739224

Oxindole-7-boronic acid, pinacol ester

Structural Information

Molecular Formula
C14H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)CC(=O)N3
InChI
InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-7-5-6-9-8-11(17)16-12(9)10/h5-7H,8H2,1-4H3,(H,16,17)
InChIKey
GDBJVFKVHKDADC-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

259.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14525 154.5
[M+Na]+ 282.12719 164.6
[M-H]- 258.13069 161.7
[M+NH4]+ 277.17179 175.9
[M+K]+ 298.10113 163.0
[M+H-H2O]+ 242.13523 150.4
[M+HCOO]- 304.13617 171.9
[M+CH3COO]- 318.15182 167.9
[M+Na-2H]- 280.11264 158.1
[M]+ 259.13742 156.0
[M]- 259.13852 156.0
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