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

91
Patents

343.1955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20278 176.8
[M+Na]+ 366.18472 187.2
[M-H]- 342.18822 185.8
[M+NH4]+ 361.22932 195.9
[M+K]+ 382.15866 187.1
[M+H-H2O]+ 326.19276 172.9
[M+HCOO]- 388.19370 194.6
[M+CH3COO]- 402.20935 210.9
[M+Na-2H]- 364.17017 180.6
[M]+ 343.19495 184.9
[M]- 343.19605 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