CID 54594279

1335234-37-1

Structural Information

Molecular Formula
C17H26BNO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN3CCS(=O)(=O)CC3
InChI
InChI=1S/C17H26BNO4S/c1-16(2)17(3,4)23-18(22-16)15-7-5-6-14(12-15)13-19-8-10-24(20,21)11-9-19/h5-7,12H,8-11,13H2,1-4H3
InChIKey
YZEPLFMCAXGOGH-UHFFFAOYSA-N
Compound name
4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.16757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17485 175.5
[M+Na]+ 374.15679 186.7
[M+NH4]+ 369.20139 186.7
[M+K]+ 390.13073 176.0
[M-H]- 350.16029 181.7
[M+Na-2H]- 372.14224 184.4
[M]+ 351.16702 179.8
[M]- 351.16812 179.8
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