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

25
Patents

367.1591 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16638 186.6
[M+Na]+ 390.14832 193.6
[M-H]- 366.15182 191.0
[M+NH4]+ 385.19292 199.1
[M+K]+ 406.12226 190.3
[M+H-H2O]+ 350.15636 179.1
[M+HCOO]- 412.15730 203.8
[M+CH3COO]- 426.17295 210.7
[M+Na-2H]- 388.13377 188.6
[M]+ 367.15855 191.5
[M]- 367.15965 191.5
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