CID 165986849

En300-37374424

Structural Information

Molecular Formula
C15H22BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CC(=C2C3OCCO3)SC
InChI
InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)10-8-17-9-11(22-5)12(10)13-18-6-7-19-13/h8-9,13H,6-7H2,1-5H3
InChIKey
GTRROUFQIUZDSG-UHFFFAOYSA-N
Compound name
4-(1,3-dioxolan-2-yl)-3-methylsulfanyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14354 167.8
[M+Na]+ 346.12548 177.1
[M-H]- 322.12898 179.5
[M+NH4]+ 341.17008 184.1
[M+K]+ 362.09942 179.5
[M+H-H2O]+ 306.13352 164.8
[M+HCOO]- 368.13446 180.5
[M+CH3COO]- 382.15011 180.8
[M+Na-2H]- 344.11093 169.0
[M]+ 323.13571 174.5
[M]- 323.13681 174.5
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.