CID 3067750

81960-11-4

Structural Information

Molecular Formula
C15H17N3O3S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N(C(=NCC=C)S2)C)C
InChI
InChI=1S/C15H17N3O3S/c1-5-7-16-15-18(4)13(19)11-8-10(14(20)21-6-2)9(3)17-12(11)22-15/h5,8H,1,6-7H2,2-4H3
InChIKey
BQBXTQTZKYRLJM-UHFFFAOYSA-N
Compound name
ethyl 3,7-dimethyl-4-oxo-2-prop-2-enyliminopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10634 173.9
[M+Na]+ 342.08828 187.0
[M+NH4]+ 337.13288 179.9
[M+K]+ 358.06222 178.4
[M-H]- 318.09178 175.1
[M+Na-2H]- 340.07373 177.9
[M]+ 319.09851 176.4
[M]- 319.09961 176.4
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.