CID 2757340

Tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1 carboxylate

Structural Information

Molecular Formula
C19H26BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-11-10-13-12-14(8-9-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3
InChIKey
WPSDWNFTICAMNI-UHFFFAOYSA-N
Compound name
tert-butyl 5-(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

106
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

literature stripe

Patent stripe

patents stripe