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]+ 308.06996 168.2
[M+Na]+ 330.05190 180.2
[M+NH4]+ 325.09650 173.4
[M+K]+ 346.02584 173.8
[M-H]- 306.05540 168.1
[M+Na-2H]- 328.03735 171.3
[M]+ 307.06213 170.0
[M]- 307.06323 170.0
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.