CID 16205703

Brn 4496108

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
C/C(=N\OCC=C)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C14H16N2O2S/c1-4-7-18-15-10(2)11-5-6-13-12(8-11)16(3)14(17)9-19-13/h4-6,8H,1,7,9H2,2-3H3/b15-10+
InChIKey
OLBLGBFGWNMFCO-XNTDXEJSSA-N
Compound name
4-methyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 160.8
[M+Na]+ 299.08248 168.3
[M-H]- 275.08598 164.9
[M+NH4]+ 294.12708 177.8
[M+K]+ 315.05642 164.4
[M+H-H2O]+ 259.09052 153.4
[M+HCOO]- 321.09146 176.6
[M+CH3COO]- 335.10711 203.5
[M+Na-2H]- 297.06793 162.8
[M]+ 276.09271 163.6
[M]- 276.09381 163.6
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.