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]+ 306.09068 167.2
[M+Na]+ 328.07262 176.9
[M-H]- 304.07612 169.6
[M+NH4]+ 323.11722 181.3
[M+K]+ 344.04656 172.0
[M+H-H2O]+ 288.08066 159.3
[M+HCOO]- 350.08160 183.2
[M+CH3COO]- 364.09725 206.6
[M+Na-2H]- 326.05807 170.0
[M]+ 305.08285 173.2
[M]- 305.08395 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.