CID 3245795

618072-06-3

Structural Information

Molecular Formula
C11H13N3O2S2
SMILES
CCN1C(=C(SC1=S)C(=O)NCC2=CC=CO2)N
InChI
InChI=1S/C11H13N3O2S2/c1-2-14-9(12)8(18-11(14)17)10(15)13-6-7-4-3-5-16-7/h3-5H,2,6,12H2,1H3,(H,13,15)
InChIKey
KNPAWBTZPKGZAA-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.04492 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05220 162.3
[M+Na]+ 306.03414 173.2
[M-H]- 282.03764 169.5
[M+NH4]+ 301.07874 179.8
[M+K]+ 322.00808 168.7
[M+H-H2O]+ 266.04218 156.3
[M+HCOO]- 328.04312 178.9
[M+CH3COO]- 342.05877 199.3
[M+Na-2H]- 304.01959 160.7
[M]+ 283.04437 167.2
[M]- 283.04547 167.2
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.