CID 49758860

942070-45-3

Structural Information

Molecular Formula
C19H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-12-14(13-10-8-9-11-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3
InChIKey
WWMZOMHUEMTTQO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(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

82
Patents

343.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20278 175.2
[M+Na]+ 366.18472 186.6
[M+NH4]+ 361.22932 184.5
[M+K]+ 382.15866 182.8
[M-H]- 342.18822 179.1
[M+Na-2H]- 364.17017 181.2
[M]+ 343.19495 178.4
[M]- 343.19605 178.4
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