CID 53217272

1-tosyl-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol ester

Structural Information

Molecular Formula
C18H26BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H26BNO4S/c1-14-6-8-16(9-7-14)25(21,22)20-12-10-15(11-13-20)19-23-17(2,3)18(4,5)24-19/h6-10H,11-13H2,1-5H3
InChIKey
HSUXBKSAYIKGHM-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.16757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17485 179.1
[M+Na]+ 386.15679 187.5
[M-H]- 362.16029 189.1
[M+NH4]+ 381.20139 194.4
[M+K]+ 402.13073 186.8
[M+H-H2O]+ 346.16483 173.5
[M+HCOO]- 408.16577 190.4
[M+CH3COO]- 422.18142 211.3
[M+Na-2H]- 384.14224 181.5
[M]+ 363.16702 183.0
[M]- 363.16812 183.0
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.