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 183.4
[M+Na]+ 388.17242 191.5
[M+NH4]+ 383.21702 192.8
[M+K]+ 404.14636 186.3
[M-H]- 364.17592 186.7
[M+Na-2H]- 386.15787 186.7
[M]+ 365.18265 186.2
[M]- 365.18375 186.2
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