CID 130940303

4-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=C(C=C2)OC)C=CN3
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12(18-5)10-8-9-17-13(10)11/h6-9,17H,1-5H3
InChIKey
VZFUZYWLZUMUFX-UHFFFAOYSA-N
Compound name
4-methoxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 157.5
[M+Na]+ 296.14285 170.4
[M+NH4]+ 291.18745 168.3
[M+K]+ 312.11679 165.1
[M-H]- 272.14635 162.6
[M+Na-2H]- 294.12830 164.5
[M]+ 273.15308 161.2
[M]- 273.15418 161.2
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

No patent data available for this compound.