CID 3067845

82140-62-3

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

CC1=CC(=C2C(=N1)SC(=NC2=O)NCC=C)C(=O)OC

InChI

InChI=1S/C13H13N3O3S/c1-4-5-14-13-16-10(17)9-8(12(18)19-3)6-7(2)15-11(9)20-13/h4,6H,1,5H2,2-3H3,(H,14,16,17)

InChIKey

VVVFVULSNZPWNG-UHFFFAOYSA-N

Compound name

methyl 7-methyl-4-oxo-2-(prop-2-enylamino)pyrido[3,2-e][1,3]thiazine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.06775 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.075026	162.8
[M+Na]+	314.056968	173.0
[M-H]-	290.060474	165.4
[M+NH4]+	309.101573	177.5
[M+K]+	330.030908	168.3
[M+H-H2O]+	274.065010	155.2
[M+HCOO]-	336.065951	179.2
[M+CH3COO]-	350.081601	203.6
[M+Na-2H]-	312.042416	166.1
[M]+	291.06720142	168.5
[M]-	291.06829858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.