CID 211712

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

Structural Information

Molecular Formula
C15H19NO3S2
SMILES
CCC1C(=O)N(C(=S)S1)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C15H19NO3S2/c1-4-13-14(17)16(15(20)21-13)8-7-10-5-6-11(18-2)12(9-10)19-3/h5-6,9,13H,4,7-8H2,1-3H3
InChIKey
QWHCKXMMUNILEB-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08791 176.0
[M+Na]+ 348.06985 186.7
[M+NH4]+ 343.11445 183.4
[M+K]+ 364.04379 178.0
[M-H]- 324.07335 178.4
[M+Na-2H]- 346.05530 178.7
[M]+ 325.08008 179.1
[M]- 325.08118 179.1
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.