CID 612424

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

Structural Information

Molecular Formula
C7H11N3OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NC)N
InChI
InChI=1S/C7H11N3OS2/c1-3-10-5(8)4(6(11)9-2)13-7(10)12/h3,8H2,1-2H3,(H,9,11)
InChIKey
DTMHHRFGFHOOKN-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

217.03435 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04163 143.7
[M+Na]+ 240.02357 153.3
[M-H]- 216.02707 146.2
[M+NH4]+ 235.06817 163.1
[M+K]+ 255.99751 148.4
[M+H-H2O]+ 200.03161 137.6
[M+HCOO]- 262.03255 157.7
[M+CH3COO]- 276.04820 189.7
[M+Na-2H]- 238.00902 141.9
[M]+ 217.03380 145.0
[M]- 217.03490 145.0
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.