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 157.4
[M+Na]+ 287.08248 165.0
[M-H]- 263.08598 161.7
[M+NH4]+ 282.12708 175.0
[M+K]+ 303.05642 162.0
[M+H-H2O]+ 247.09052 150.1
[M+HCOO]- 309.09146 173.4
[M+CH3COO]- 323.10711 201.3
[M+Na-2H]- 285.06793 159.8
[M]+ 264.09271 160.5
[M]- 264.09381 160.5
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.