CID 3067748

81960-08-9

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N=C(S2)NCC=C)C
InChI
InChI=1S/C14H15N3O3S/c1-4-6-15-14-17-11(18)10-7-9(13(19)20-5-2)8(3)16-12(10)21-14/h4,7H,1,5-6H2,2-3H3,(H,15,17,18)
InChIKey
CISUIQAESGTLFT-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-4-oxo-2-(prop-2-enylamino)pyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.090676 167.2
[M+Na]+ 328.072618 176.9
[M-H]- 304.076124 169.6
[M+NH4]+ 323.117223 181.3
[M+K]+ 344.046558 172.0
[M+H-H2O]+ 288.080660 159.3
[M+HCOO]- 350.081601 183.2
[M+CH3COO]- 364.097251 206.6
[M+Na-2H]- 326.058066 170.0
[M]+ 305.08285142 173.2
[M]- 305.08394858 173.2
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.