CID 67148908

869852-13-1

Structural Information

Molecular Formula
C20H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C3=CC=CC=C3N2C(=O)OC(C)(C)C)C
InChI
InChI=1S/C20H28BNO4/c1-13-14-11-9-10-12-15(14)22(17(23)24-18(2,3)4)16(13)21-25-19(5,6)20(7,8)26-21/h9-12H,1-8H3
InChIKey
XYUZBXNCRMPFHN-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

357.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21843 179.1
[M+Na]+ 380.20037 190.7
[M+NH4]+ 375.24497 188.3
[M+K]+ 396.17431 186.9
[M-H]- 356.20387 183.1
[M+Na-2H]- 378.18582 184.7
[M]+ 357.21060 182.4
[M]- 357.21170 182.4
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