CID 22309457

850568-65-9

Structural Information

Molecular Formula
C14H18BNO5
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)OC)(O)O
InChI
InChI=1S/C14H18BNO5/c1-14(2,3)21-13(17)16-11-8-10(20-4)6-5-9(11)7-12(16)15(18)19/h5-8,18-19H,1-4H3
InChIKey
ATIJYIUOXDCYTN-UHFFFAOYSA-N
Compound name
[6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

291.1278 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13508 164.6
[M+Na]+ 314.11702 174.6
[M+NH4]+ 309.16162 169.7
[M+K]+ 330.09096 173.8
[M-H]- 290.12052 162.7
[M+Na-2H]- 312.10247 166.9
[M]+ 291.12725 165.2
[M]- 291.12835 165.2
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