CID 211714

3-(3,4-diethoxyphenethyl)-5-ethylrhodanine

Structural Information

Molecular Formula
C17H23NO3S2
SMILES
CCC1C(=O)N(C(=S)S1)CCC2=CC(=C(C=C2)OCC)OCC
InChI
InChI=1S/C17H23NO3S2/c1-4-15-16(19)18(17(22)23-15)10-9-12-7-8-13(20-5-2)14(11-12)21-6-3/h7-8,11,15H,4-6,9-10H2,1-3H3
InChIKey
IBJUAIAZODBQER-UHFFFAOYSA-N
Compound name
3-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11922 180.6
[M+Na]+ 376.10116 188.7
[M-H]- 352.10466 185.7
[M+NH4]+ 371.14576 195.6
[M+K]+ 392.07510 183.0
[M+H-H2O]+ 336.10920 173.9
[M+HCOO]- 398.11014 191.0
[M+CH3COO]- 412.12579 212.3
[M+Na-2H]- 374.08661 175.1
[M]+ 353.11139 187.3
[M]- 353.11249 187.3
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.