CID 44119347

6-cyano-1h-indole-2-boronic acid, n-boc protected

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

207
Patents

286.1125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11978 170.8
[M+Na]+ 309.10172 181.4
[M-H]- 285.10522 171.6
[M+NH4]+ 304.14632 185.4
[M+K]+ 325.07566 177.4
[M+H-H2O]+ 269.10976 158.4
[M+HCOO]- 331.11070 185.2
[M+CH3COO]- 345.12635 206.6
[M+Na-2H]- 307.08717 172.5
[M]+ 286.11195 168.8
[M]- 286.11305 168.8
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