CID 3067747

81960-07-8

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N=C(S2)NC)C
InChI
InChI=1S/C12H13N3O3S/c1-4-18-11(17)7-5-8-9(16)15-12(13-3)19-10(8)14-6(7)2/h5H,4H2,1-3H3,(H,13,15,16)
InChIKey
TVFIRMGXFYQDAJ-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2-(methylamino)-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06775 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07503 159.3
[M+Na]+ 302.05697 169.7
[M-H]- 278.06047 162.1
[M+NH4]+ 297.10157 174.6
[M+K]+ 318.03091 165.8
[M+H-H2O]+ 262.06501 151.8
[M+HCOO]- 324.06595 175.8
[M+CH3COO]- 338.08160 201.4
[M+Na-2H]- 300.04242 163.1
[M]+ 279.06720 165.3
[M]- 279.06830 165.3
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.