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]+ 296.052196 166.5
[M+Na]+ 318.034138 177.2
[M-H]- 294.037644 173.6
[M+NH4]+ 313.078743 183.4
[M+K]+ 334.008078 171.9
[M+H-H2O]+ 278.042180 160.4
[M+HCOO]- 340.043121 183.0
[M+CH3COO]- 354.058771 201.4
[M+Na-2H]- 316.019586 164.4
[M]+ 295.04437142 171.0
[M]- 295.04546858 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.