CID 44149677

Brn 4513044

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]+ 289.10054 162.8
[M+Na]+ 311.08248 173.9
[M+NH4]+ 306.12708 167.0
[M+K]+ 327.05642 162.5
[M-H]- 287.08598 157.0
[M+Na-2H]- 309.06793 164.1
[M]+ 288.09271 162.2
[M]- 288.09381 162.2
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.