CID 866382

Methyl 4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C11H10N2O2S2
SMILES
COC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H10N2O2S2/c1-15-10(14)8-9(12)13(11(16)17-8)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChIKey
TVSSQEDFFUGSOL-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

266.01837 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02565 156.7
[M+Na]+ 289.00759 167.8
[M+NH4]+ 284.05219 164.6
[M+K]+ 304.98153 160.3
[M-H]- 265.01109 159.9
[M+Na-2H]- 286.99304 162.0
[M]+ 266.01782 159.9
[M]- 266.01892 159.9
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.