CID 44149677

2h-1,4-benzothiazin-3(4h)-one, 4-ethyl-6-(1-((2-propynyloxy)imino)ethyl)-

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC#C)/C
InChI
InChI=1S/C15H16N2O2S/c1-4-8-19-16-11(3)12-6-7-14-13(9-12)17(5-2)15(18)10-20-14/h1,6-7,9H,5,8,10H2,2-3H3/b16-11+
InChIKey
BYIDTVTTXXLKML-LFIBNONCSA-N
Compound name
4-ethyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09326 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.100536 167.4
[M+Na]+ 311.082478 177.0
[M-H]- 287.085984 170.0
[M+NH4]+ 306.127083 182.0
[M+K]+ 327.056418 171.5
[M+H-H2O]+ 271.090520 154.3
[M+HCOO]- 333.091461 177.5
[M+CH3COO]- 347.107111 211.2
[M+Na-2H]- 309.067926 167.9
[M]+ 288.09271142 164.8
[M]- 288.09380858 164.8
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.