CID 3067845

82140-62-3

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CC1=CC(=C2C(=N1)SC(=NC2=O)NCC=C)C(=O)OC
InChI
InChI=1S/C13H13N3O3S/c1-4-5-14-13-16-10(17)9-8(12(18)19-3)6-7(2)15-11(9)20-13/h4,6H,1,5H2,2-3H3,(H,14,16,17)
InChIKey
VVVFVULSNZPWNG-UHFFFAOYSA-N
Compound name
methyl 7-methyl-4-oxo-2-(prop-2-enylamino)pyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.06775 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 164.9
[M+Na]+ 314.05697 177.5
[M+NH4]+ 309.10157 171.2
[M+K]+ 330.03091 169.6
[M-H]- 290.06047 165.8
[M+Na-2H]- 312.04242 169.2
[M]+ 291.06720 167.2
[M]- 291.06830 167.2
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.