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

80
Patents

343.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.202776 176.8
[M+Na]+ 366.184718 187.2
[M-H]- 342.188224 185.8
[M+NH4]+ 361.229323 195.9
[M+K]+ 382.158658 187.1
[M+H-H2O]+ 326.192760 172.9
[M+HCOO]- 388.193701 194.6
[M+CH3COO]- 402.209351 210.9
[M+Na-2H]- 364.170166 180.6
[M]+ 343.19495142 184.9
[M]- 343.19604858 184.9
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