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 178.8
[M+Na]+ 363.11376 185.1
[M-H]- 339.11726 185.5
[M+NH4]+ 358.15836 192.6
[M+K]+ 379.08770 180.1
[M+H-H2O]+ 323.12180 169.5
[M+HCOO]- 385.12274 194.2
[M+CH3COO]- 399.13839 215.1
[M+Na-2H]- 361.09921 180.8
[M]+ 340.12399 181.2
[M]- 340.12509 181.2
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.