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 172.3
[M+Na]+ 348.06985 181.4
[M-H]- 324.07335 177.9
[M+NH4]+ 343.11445 188.5
[M+K]+ 364.04379 176.1
[M+H-H2O]+ 308.07789 166.0
[M+HCOO]- 370.07883 183.4
[M+CH3COO]- 384.09448 206.5
[M+Na-2H]- 346.05530 167.7
[M]+ 325.08008 178.4
[M]- 325.08118 178.4
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.