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]+ 312.07225 168.2
[M+Na]+ 334.05419 177.7
[M-H]- 310.05769 173.9
[M+NH4]+ 329.09879 184.9
[M+K]+ 350.02813 172.6
[M+H-H2O]+ 294.06223 162.1
[M+HCOO]- 356.06317 179.5
[M+CH3COO]- 370.07882 203.6
[M+Na-2H]- 332.03964 164.0
[M]+ 311.06442 173.9
[M]- 311.06552 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.