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 165.1
[M+Na]+ 330.05190 175.8
[M-H]- 306.05540 168.1
[M+NH4]+ 325.09650 179.2
[M+K]+ 346.02584 171.8
[M+H-H2O]+ 290.05994 157.8
[M+HCOO]- 352.06088 180.7
[M+CH3COO]- 366.07653 206.7
[M+Na-2H]- 328.03735 166.9
[M]+ 307.06213 171.2
[M]- 307.06323 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.