CID 155822509

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]pyridine

Structural Information

Molecular Formula
C14H18BNO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=CS3)C)N=C2
InChI
InChI=1S/C14H18BNO2S/c1-9-8-19-11-6-10(7-16-12(9)11)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChIKey
NVVCYIPIEIZRGF-UHFFFAOYSA-N
Compound name
3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11514 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.122416 155.3
[M+Na]+ 298.104358 168.4
[M-H]- 274.107864 164.8
[M+NH4]+ 293.148963 178.1
[M+K]+ 314.078298 167.3
[M+H-H2O]+ 258.112400 151.8
[M+HCOO]- 320.113341 172.4
[M+CH3COO]- 334.128991 170.3
[M+Na-2H]- 296.089806 158.7
[M]+ 275.11459142 163.5
[M]- 275.11568858 163.5
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

No patent data available for this compound.