CID 211734

5-ethyl-3-veratrylrhodanine

Structural Information

Molecular Formula
C14H17NO3S2
SMILES
CCC1C(=O)N(C(=S)S1)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C14H17NO3S2/c1-4-12-13(16)15(14(19)20-12)8-9-5-6-10(17-2)11(7-9)18-3/h5-7,12H,4,8H2,1-3H3
InChIKey
VEAMJGBDKDCNFI-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.06497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.072246 168.2
[M+Na]+ 334.054188 177.7
[M-H]- 310.057694 173.9
[M+NH4]+ 329.098793 184.9
[M+K]+ 350.028128 172.6
[M+H-H2O]+ 294.062230 162.1
[M+HCOO]- 356.063171 179.5
[M+CH3COO]- 370.078821 203.6
[M+Na-2H]- 332.039636 164.0
[M]+ 311.06442142 173.9
[M]- 311.06551858 173.9
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.