CID 133555112

4-ethyl-2-ethoxythiazole-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C13H22BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(S2)OCC)CC
InChI
InChI=1S/C13H22BNO3S/c1-7-9-10(19-11(15-9)16-8-2)14-17-12(3,4)13(5,6)18-14/h7-8H2,1-6H3
InChIKey
DALZQKMCXNXJJW-UHFFFAOYSA-N
Compound name
2-ethoxy-4-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14864 156.9
[M+Na]+ 306.13058 167.3
[M-H]- 282.13408 164.7
[M+NH4]+ 301.17518 178.1
[M+K]+ 322.10452 167.8
[M+H-H2O]+ 266.13862 154.0
[M+HCOO]- 328.13956 173.0
[M+CH3COO]- 342.15521 198.7
[M+Na-2H]- 304.11603 158.1
[M]+ 283.14081 165.7
[M]- 283.14191 165.7
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.