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 163.2
[M+Na]+ 316.07262 174.7
[M-H]- 292.07612 167.6
[M+NH4]+ 311.11722 178.9
[M+K]+ 332.04656 170.9
[M+H-H2O]+ 276.08066 155.5
[M+HCOO]- 338.08160 181.0
[M+CH3COO]- 352.09725 206.7
[M+Na-2H]- 314.05807 166.1
[M]+ 293.08285 171.0
[M]- 293.08395 171.0
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.