CID 75487172

2246556-84-1

Structural Information

Molecular Formula
C18H28BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(S2)CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H28BNO4S/c1-16(2,3)22-15(21)20-9-8-13-12(11-20)10-14(25-13)19-23-17(4,5)18(6,7)24-19/h10H,8-9,11H2,1-7H3
InChIKey
PNURUDISZTVTLZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

365.1832 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19048 182.3
[M+Na]+ 388.17242 190.2
[M-H]- 364.17592 190.0
[M+NH4]+ 383.21702 200.9
[M+K]+ 404.14636 190.7
[M+H-H2O]+ 348.18046 179.8
[M+HCOO]- 410.18140 191.6
[M+CH3COO]- 424.19705 212.6
[M+Na-2H]- 386.15787 182.6
[M]+ 365.18265 188.5
[M]- 365.18375 188.5
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