CID 2346917

380442-79-5

Structural Information

Molecular Formula
C12H12N2O2S2
SMILES
CCOC(=O)C1=C(SN(C1=S)C2=CC=CC=C2)N
InChI
InChI=1S/C12H12N2O2S2/c1-2-16-12(15)9-10(13)18-14(11(9)17)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChIKey
VOCCWGKPJJSHJG-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-phenyl-3-sulfanylidene-1,2-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

280.03403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04131 160.8
[M+Na]+ 303.02325 171.8
[M+NH4]+ 298.06785 168.6
[M+K]+ 318.99719 164.0
[M-H]- 279.02675 164.0
[M+Na-2H]- 301.00870 165.9
[M]+ 280.03348 164.0
[M]- 280.03458 164.0
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.