CID 13359790

95931-75-2

Structural Information

Molecular Formula
C13H13N3O4S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N(C(=N)S2)C(=O)C)C
InChI
InChI=1S/C13H13N3O4S/c1-4-20-12(19)8-5-9-10(15-6(8)2)21-13(14)16(7(3)17)11(9)18/h5,14H,4H2,1-3H3
InChIKey
JVPVIRPANORFNO-UHFFFAOYSA-N
Compound name
ethyl 3-acetyl-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06268 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.069956 165.1
[M+Na]+ 330.051898 175.8
[M-H]- 306.055404 168.1
[M+NH4]+ 325.096503 179.2
[M+K]+ 346.025838 171.8
[M+H-H2O]+ 290.059940 157.8
[M+HCOO]- 352.060881 180.7
[M+CH3COO]- 366.076531 206.7
[M+Na-2H]- 328.037346 166.9
[M]+ 307.06213142 171.2
[M]- 307.06322858 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.