CID 16205709

Brn 4548728

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC3=CC=CC=C3)/C
InChI
InChI=1S/C19H20N2O2S/c1-3-21-17-11-16(9-10-18(17)24-13-19(21)22)14(2)20-23-12-15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3/b20-14+
InChIKey
UKUHGAKUEBRUOQ-XSFVSMFZSA-N
Compound name
4-ethyl-6-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.12454 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 178.3
[M+Na]+ 363.11376 191.7
[M+NH4]+ 358.15836 186.8
[M+K]+ 379.08770 181.3
[M-H]- 339.11726 183.5
[M+Na-2H]- 361.09921 185.7
[M]+ 340.12399 182.2
[M]- 340.12509 182.2
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.