CID 866381

4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C12H13N3O2S2
SMILES
CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N
InChI
InChI=1S/C12H13N3O2S2/c1-2-17-8-5-3-7(4-6-8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16)
InChIKey
IBZIJBIBHFDFFQ-UHFFFAOYSA-N
Compound name
4-amino-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.04492 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05220 164.4
[M+Na]+ 318.03414 174.0
[M+NH4]+ 313.07874 171.4
[M+K]+ 334.00808 167.1
[M-H]- 294.03764 167.5
[M+Na-2H]- 316.01959 168.6
[M]+ 295.04437 167.3
[M]- 295.04547 167.3
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.