CID 2763172

850568-52-4

Structural Information

Molecular Formula
C20H22BNO5
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC=C2OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C20H22BNO5/c1-20(2,3)27-19(23)22-16-10-7-11-17(15(16)12-18(22)21(24)25)26-13-14-8-5-4-6-9-14/h4-12,24-25H,13H2,1-3H3
InChIKey
YXJBIADEQVCONT-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxyindol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

367.1591 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16638 185.9
[M+Na]+ 390.14832 197.6
[M+NH4]+ 385.19292 191.3
[M+K]+ 406.12226 195.0
[M-H]- 366.15182 186.8
[M+Na-2H]- 388.13377 190.9
[M]+ 367.15855 187.7
[M]- 367.15965 187.7
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

patents stripe