CID 44119347

913835-67-3

Structural Information

Molecular Formula
C14H15BN2O4
SMILES
B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C#N)(O)O
InChI
InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-6-9(8-16)4-5-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
InChIKey
CZEBTZMIQZVUSE-UHFFFAOYSA-N
Compound name
[6-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

286.1125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11978 162.7
[M+Na]+ 309.10172 172.5
[M+NH4]+ 304.14632 164.8
[M+K]+ 325.07566 167.8
[M-H]- 285.10522 154.0
[M+Na-2H]- 307.08717 163.0
[M]+ 286.11195 160.6
[M]- 286.11305 160.6
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