CID 16205700

Brn 4480121

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CCO/N=C(\C)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C13H16N2O2S/c1-4-17-14-9(2)10-5-6-12-11(7-10)15(3)13(16)8-18-12/h5-7H,4,8H2,1-3H3/b14-9+
InChIKey
SLIMYJWVCZQAJK-NTEUORMPSA-N
Compound name
6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-methyl-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 158.7
[M+Na]+ 287.08248 170.4
[M+NH4]+ 282.12708 167.0
[M+K]+ 303.05642 161.8
[M-H]- 263.08598 161.3
[M+Na-2H]- 285.06793 163.3
[M]+ 264.09271 161.5
[M]- 264.09381 161.5
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.