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]+ 284.095106 156.8
[M+Na]+ 306.077048 166.7
[M-H]- 282.080554 163.6
[M+NH4]+ 301.121653 174.8
[M+K]+ 322.050988 165.4
[M+H-H2O]+ 266.085090 150.4
[M+HCOO]- 328.086031 172.8
[M+CH3COO]- 342.101681 195.6
[M+Na-2H]- 304.062496 162.6
[M]+ 283.08728142 162.4
[M]- 283.08837858 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.