CID 12199305

Dtxsid701111532

Structural Information

Molecular Formula
C18H14N2O2S2
SMILES
CC1=CC2=C(C=C1)NC(=O)/C(=C\3/C(=O)NC4=C(S3)C=C(C=C4)C)/S2
InChI
InChI=1S/C18H14N2O2S2/c1-9-3-5-11-13(7-9)23-15(17(21)19-11)16-18(22)20-12-6-4-10(2)8-14(12)24-16/h3-8H,1-2H3,(H,19,21)(H,20,22)/b16-15+
InChIKey
OFGXYMXXUNLDTM-FOCLMDBBSA-N
Compound name
(2E)-7-methyl-2-(7-methyl-3-oxo-4H-1,4-benzothiazin-2-ylidene)-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04968 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05696 176.0
[M+Na]+ 377.03890 189.9
[M+NH4]+ 372.08350 184.5
[M+K]+ 393.01284 178.4
[M-H]- 353.04240 179.7
[M+Na-2H]- 375.02435 180.6
[M]+ 354.04913 180.0
[M]- 354.05023 180.0
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.