CID 209145

3-(p-ethoxyphenyl)-5-propylrhodanine

Structural Information

Molecular Formula
C14H17NO2S2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C14H17NO2S2/c1-3-5-12-13(16)15(14(18)19-12)10-6-8-11(9-7-10)17-4-2/h6-9,12H,3-5H2,1-2H3
InChIKey
JUBVCCTUSMVTKY-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.07007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07735 165.2
[M+Na]+ 318.05929 174.3
[M-H]- 294.06279 170.7
[M+NH4]+ 313.10389 182.5
[M+K]+ 334.03323 168.7
[M+H-H2O]+ 278.06733 159.0
[M+HCOO]- 340.06827 176.4
[M+CH3COO]- 354.08392 200.4
[M+Na-2H]- 316.04474 161.3
[M]+ 295.06952 169.2
[M]- 295.07062 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.