CID 44154120

91119-81-2

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂S

SMILES

CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OC)/C

InChI

InChI=1S/C13H16N2O2S/c1-4-15-11-7-10(9(2)14-17-3)5-6-12(11)18-8-13(15)16/h5-7H,4,8H2,1-3H3/b14-9+

InChIKey

IRWQFIUCRXHGBT-NTEUORMPSA-N

Compound name

4-ethyl-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,4-benzothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.09326 Da
Monoisotopic Mass: 2.2
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]+	265.100536	157.4
[M+Na]+	287.082478	165.0
[M-H]-	263.085984	161.7
[M+NH4]+	282.127083	175.0
[M+K]+	303.056418	162.0
[M+H-H2O]+	247.090520	150.1
[M+HCOO]-	309.091461	173.4
[M+CH3COO]-	323.107111	201.3
[M+Na-2H]-	285.067926	159.8
[M]+	264.09271142	160.5
[M]-	264.09380858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.