CID 3067749

81960-09-0

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N(C(=NC)S2)C)C
InChI
InChI=1S/C13H15N3O3S/c1-5-19-12(18)8-6-9-10(15-7(8)2)20-13(14-3)16(4)11(9)17/h6H,5H2,1-4H3
InChIKey
LTAIIJFTURTKTG-UHFFFAOYSA-N
Compound name
ethyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0834 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09068 166.0
[M+Na]+ 316.07262 179.5
[M+NH4]+ 311.11722 172.6
[M+K]+ 332.04656 171.4
[M-H]- 292.07612 167.5
[M+Na-2H]- 314.05807 170.6
[M]+ 293.08285 168.7
[M]- 293.08395 168.7
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.