CID 1544504

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

Structural Information

Molecular Formula
C14H17N3O2S2
SMILES
CCNC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)OCC)N
InChI
InChI=1S/C14H17N3O2S2/c1-3-16-13(18)11-12(15)17(14(20)21-11)9-5-7-10(8-6-9)19-4-2/h5-8H,3-4,15H2,1-2H3,(H,16,18)
InChIKey
NKHPSLSKMIRPRU-UHFFFAOYSA-N
Compound name
4-amino-3-(4-ethoxyphenyl)-N-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08351 173.0
[M+Na]+ 346.06545 182.5
[M+NH4]+ 341.11005 179.9
[M+K]+ 362.03939 175.0
[M-H]- 322.06895 176.3
[M+Na-2H]- 344.05090 177.3
[M]+ 323.07568 175.9
[M]- 323.07678 175.9
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.