CID 135406625

199916-89-7

Structural Information

Molecular Formula
C20H22N3OS3
SMILES
CCN1/C(=C/C2=[N+](C(=CS2)C)CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O
InChI
InChI=1S/C20H22N3OS3/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20/h7-12H,5-6H2,1-4H3/q+1/b20-18+
InChIKey
NATFSQIDCSKTEV-CZIZESTLSA-N
Compound name
(2Z,5E)-3-ethyl-2-[(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.0925 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09978 192.5
[M+Na]+ 439.08172 207.3
[M+NH4]+ 434.12632 201.4
[M+K]+ 455.05566 199.3
[M-H]- 415.08522 198.5
[M+Na-2H]- 437.06717 197.0
[M]+ 416.09195 198.0
[M]- 416.09305 198.0
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.