CID 866381

4-amino-3-(4-ethoxyphenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C12H13N3O2S2
SMILES
CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N)N
InChI
InChI=1S/C12H13N3O2S2/c1-2-17-8-5-3-7(4-6-8)15-10(13)9(11(14)16)19-12(15)18/h3-6H,2,13H2,1H3,(H2,14,16)
InChIKey
IBZIJBIBHFDFFQ-UHFFFAOYSA-N
Compound name
4-amino-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.04492 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05220 163.3
[M+Na]+ 318.03414 172.9
[M-H]- 294.03764 168.4
[M+NH4]+ 313.07874 179.1
[M+K]+ 334.00808 166.4
[M+H-H2O]+ 278.04218 156.4
[M+HCOO]- 340.04312 177.2
[M+CH3COO]- 354.05877 203.6
[M+Na-2H]- 316.01959 160.7
[M]+ 295.04437 165.1
[M]- 295.04547 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.