CID 3057261

74007-81-1

Structural Information

Molecular Formula
C15H15NO4S
SMILES
CCC1=C(SC(=O)N(C1=O)C(=O)OCC)C2=CC=CC=C2
InChI
InChI=1S/C15H15NO4S/c1-3-11-12(10-8-6-5-7-9-10)21-15(19)16(13(11)17)14(18)20-4-2/h5-9H,3-4H2,1-2H3
InChIKey
BTHSXVKALBMZQT-UHFFFAOYSA-N
Compound name
ethyl 5-ethyl-2,4-dioxo-6-phenyl-1,3-thiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07217 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.079446 166.0
[M+Na]+ 328.061388 176.1
[M-H]- 304.064894 172.4
[M+NH4]+ 323.105993 180.6
[M+K]+ 344.035328 171.9
[M+H-H2O]+ 288.069430 158.0
[M+HCOO]- 350.070371 183.9
[M+CH3COO]- 364.086021 201.5
[M+Na-2H]- 326.046836 166.9
[M]+ 305.07162142 172.5
[M]- 305.07271858 172.5
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.