CID 2813732

Ethyl 4-(acetylamino)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C14H14N2O3S2
SMILES
CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C14H14N2O3S2/c1-3-19-13(18)11-12(15-9(2)17)16(14(20)21-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,17)
InChIKey
NFYVPDIMLJWDQL-UHFFFAOYSA-N
Compound name
ethyl 4-acetamido-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.0446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05188 171.9
[M+Na]+ 345.03382 180.6
[M-H]- 321.03732 177.8
[M+NH4]+ 340.07842 187.2
[M+K]+ 361.00776 175.1
[M+H-H2O]+ 305.04186 164.9
[M+HCOO]- 367.04280 185.0
[M+CH3COO]- 381.05845 205.1
[M+Na-2H]- 343.01927 169.4
[M]+ 322.04405 176.7
[M]- 322.04515 176.7
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.