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 160.1
[M+Na]+ 303.02325 170.1
[M-H]- 279.02675 165.8
[M+NH4]+ 298.06785 177.2
[M+K]+ 318.99719 164.3
[M+H-H2O]+ 263.03129 153.6
[M+HCOO]- 325.03223 174.0
[M+CH3COO]- 339.04788 197.2
[M+Na-2H]- 301.00870 158.3
[M]+ 280.03348 163.3
[M]- 280.03458 163.3
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.