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 171.0
[M+Na]+ 342.08828 181.9
[M-H]- 318.09178 175.0
[M+NH4]+ 337.13288 185.5
[M+K]+ 358.06222 177.0
[M+H-H2O]+ 302.09632 162.9
[M+HCOO]- 364.09726 188.3
[M+CH3COO]- 378.11291 211.9
[M+Na-2H]- 340.07373 173.0
[M]+ 319.09851 178.8
[M]- 319.09961 178.8
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.