CID 16205703

91119-74-3

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂S

SMILES

C/C(=N\OCC=C)/C1=CC2=C(C=C1)SCC(=O)N2C

InChI

InChI=1S/C14H16N2O2S/c1-4-7-18-15-10(2)11-5-6-13-12(8-11)16(3)14(17)9-19-13/h4-6,8H,1,7,9H2,2-3H3/b15-10+

InChIKey

OLBLGBFGWNMFCO-XNTDXEJSSA-N

Compound name

4-methyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.09326 Da
Monoisotopic Mass: 2.5
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]+	277.100536	160.8
[M+Na]+	299.082478	168.3
[M-H]-	275.085984	164.9
[M+NH4]+	294.127083	177.8
[M+K]+	315.056418	164.4
[M+H-H2O]+	259.090520	153.4
[M+HCOO]-	321.091461	176.6
[M+CH3COO]-	335.107111	203.5
[M+Na-2H]-	297.067926	162.8
[M]+	276.09271142	163.6
[M]-	276.09380858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.