CID 3243740

4-amino-n,3-diethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C8H13N3OS2
SMILES
CCNC(=O)C1=C(N(C(=S)S1)CC)N
InChI
InChI=1S/C8H13N3OS2/c1-3-10-7(12)5-6(9)11(4-2)8(13)14-5/h3-4,9H2,1-2H3,(H,10,12)
InChIKey
JLQFLBFJAQCRIZ-UHFFFAOYSA-N
Compound name
4-amino-N,3-diethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

231.05 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05728 147.9
[M+Na]+ 254.03922 157.0
[M-H]- 230.04272 150.2
[M+NH4]+ 249.08382 166.7
[M+K]+ 270.01316 151.9
[M+H-H2O]+ 214.04726 141.6
[M+HCOO]- 276.04820 161.5
[M+CH3COO]- 290.06385 192.7
[M+Na-2H]- 252.02467 145.6
[M]+ 231.04945 149.5
[M]- 231.05055 149.5
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.