CID 135754391

Nk 1460

Structural Information

Molecular Formula
C14H16N2O3S3
SMILES
CCN1C(=C(SC1=S)/C=C/C2=NC(=C(S2)C(=O)OCC)C)O
InChI
InChI=1S/C14H16N2O3S3/c1-4-16-12(17)9(21-14(16)20)6-7-10-15-8(3)11(22-10)13(18)19-5-2/h6-7,17H,4-5H2,1-3H3/b7-6+
InChIKey
OUDGIUJWIRGCHB-VOTSOKGWSA-N
Compound name
ethyl 2-[(E)-2-(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)ethenyl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.03232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03960 184.4
[M+Na]+ 379.02154 194.0
[M+NH4]+ 374.06614 190.3
[M+K]+ 394.99548 186.4
[M-H]- 355.02504 185.1
[M+Na-2H]- 377.00699 185.1
[M]+ 356.03177 187.1
[M]- 356.03287 187.1
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.