CID 752647

3-allyl-4-amino-n-(2-furylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C12H13N3O2S2
SMILES
C=CCN1C(=C(SC1=S)C(=O)NCC2=CC=CO2)N
InChI
InChI=1S/C12H13N3O2S2/c1-2-5-15-10(13)9(19-12(15)18)11(16)14-7-8-4-3-6-17-8/h2-4,6H,1,5,7,13H2,(H,14,16)
InChIKey
HCUWAEMBWDLZKW-UHFFFAOYSA-N
Compound name
4-amino-N-(furan-2-ylmethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

295.04492 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05220 167.8
[M+Na]+ 318.03414 176.7
[M+NH4]+ 313.07874 174.3
[M+K]+ 334.00808 171.5
[M-H]- 294.03764 171.5
[M+Na-2H]- 316.01959 170.8
[M]+ 295.04437 170.7
[M]- 295.04547 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.