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 166.5
[M+Na]+ 318.03414 177.2
[M-H]- 294.03764 173.6
[M+NH4]+ 313.07874 183.4
[M+K]+ 334.00808 171.9
[M+H-H2O]+ 278.04218 160.4
[M+HCOO]- 340.04312 183.0
[M+CH3COO]- 354.05877 201.4
[M+Na-2H]- 316.01959 164.4
[M]+ 295.04437 171.0
[M]- 295.04547 171.0
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.