CID 300219

38336-82-2

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCOC1C(S(=O)(=O)N=C(O1)C2=CC=CC=C2)(C)C
InChI
InChI=1S/C13H17NO4S/c1-4-17-12-13(2,3)19(15,16)14-11(18-12)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3
InChIKey
YYMXLISEUGEZGA-UHFFFAOYSA-N
Compound name
6-ethoxy-5,5-dimethyl-2-phenyl-6H-1,4,3-oxathiazine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 156.8
[M+Na]+ 306.07705 166.7
[M-H]- 282.08055 163.6
[M+NH4]+ 301.12165 174.8
[M+K]+ 322.05099 165.4
[M+H-H2O]+ 266.08509 150.4
[M+HCOO]- 328.08603 172.8
[M+CH3COO]- 342.10168 195.6
[M+Na-2H]- 304.06250 162.6
[M]+ 283.08728 162.4
[M]- 283.08838 162.4
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.