CID 3067844

2h-pyrido(3,2-e)(1,3)thiazine-5-carboxylic acid, 3,4-dihydro-2-(methylimino)-7-methyl-4-oxo-, methyl ester

Structural Information

Molecular Formula
C11H11N3O3S
SMILES
CC1=CC(=C2C(=N1)SC(=NC2=O)NC)C(=O)OC
InChI
InChI=1S/C11H11N3O3S/c1-5-4-6(10(16)17-3)7-8(15)14-11(12-2)18-9(7)13-5/h4H,1-3H3,(H,12,14,15)
InChIKey
NZCOLHDCVBFKBX-UHFFFAOYSA-N
Compound name
methyl 7-methyl-2-(methylamino)-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05212 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.05940 154.9
[M+Na]+ 288.04134 165.7
[M-H]- 264.04484 157.8
[M+NH4]+ 283.08594 170.7
[M+K]+ 304.01528 162.1
[M+H-H2O]+ 248.04938 147.6
[M+HCOO]- 310.05032 171.7
[M+CH3COO]- 324.06597 198.4
[M+Na-2H]- 286.02679 159.2
[M]+ 265.05157 160.6
[M]- 265.05267 160.6
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.