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 172.7
[M+Na]+ 374.15679 181.2
[M-H]- 350.16029 182.5
[M+NH4]+ 369.20139 190.3
[M+K]+ 390.13073 180.7
[M+H-H2O]+ 334.16483 167.3
[M+HCOO]- 396.16577 184.5
[M+CH3COO]- 410.18142 208.1
[M+Na-2H]- 372.14224 175.2
[M]+ 351.16702 176.0
[M]- 351.16812 176.0
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

patents stripe