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]+ 324.083506 171.6
[M+Na]+ 346.065448 180.4
[M-H]- 322.068954 177.0
[M+NH4]+ 341.110053 186.7
[M+K]+ 362.039388 173.8
[M+H-H2O]+ 306.073490 164.3
[M+HCOO]- 368.074431 185.5
[M+CH3COO]- 382.090081 209.3
[M+Na-2H]- 344.050896 169.2
[M]+ 323.07568142 175.0
[M]- 323.07677858 175.0
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.