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]+ 306.07945 166.0
[M+Na]+ 328.06139 176.1
[M-H]- 304.06489 172.4
[M+NH4]+ 323.10599 180.6
[M+K]+ 344.03533 171.9
[M+H-H2O]+ 288.06943 158.0
[M+HCOO]- 350.07037 183.9
[M+CH3COO]- 364.08602 201.5
[M+Na-2H]- 326.04684 166.9
[M]+ 305.07162 172.5
[M]- 305.07272 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.