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 155.9
[M+Na]+ 289.00759 166.4
[M-H]- 265.01109 161.8
[M+NH4]+ 284.05219 173.6
[M+K]+ 304.98153 160.7
[M+H-H2O]+ 249.01563 149.6
[M+HCOO]- 311.01657 170.1
[M+CH3COO]- 325.03222 194.3
[M+Na-2H]- 286.99304 154.5
[M]+ 266.01782 158.8
[M]- 266.01892 158.8
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.