CID 16205707

Brn 4507145

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
CCCO/N=C(\C)/C1=CC2=C(C=C1)SCC(=O)N2CC
InChI
InChI=1S/C15H20N2O2S/c1-4-8-19-16-11(3)12-6-7-14-13(9-12)17(5-2)15(18)10-20-14/h6-7,9H,4-5,8,10H2,1-3H3/b16-11+
InChIKey
PVNJEIIOWUEUKR-LFIBNONCSA-N
Compound name
4-ethyl-6-[(E)-C-methyl-N-propoxycarbonimidoyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12454 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 167.4
[M+Na]+ 315.11376 178.6
[M+NH4]+ 310.15836 175.4
[M+K]+ 331.08770 169.6
[M-H]- 291.11726 169.9
[M+Na-2H]- 313.09921 171.5
[M]+ 292.12399 170.1
[M]- 292.12509 170.1
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.