CID 11843535

(5e)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one

Structural Information

Molecular Formula
C31H34N2O6S
SMILES
COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2CCC3=CC(=C(C=C3)OC)OC)CCC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C31H34N2O6S/c1-35-24-10-6-21(7-11-24)18-25-30(34)33(17-15-23-9-13-27(37-3)29(20-23)39-5)31(40)32(25)16-14-22-8-12-26(36-2)28(19-22)38-4/h6-13,18-20H,14-17H2,1-5H3/b25-18+
InChIKey
VMJDOTMETJJZJT-XIEYBQDHSA-N
Compound name
(5E)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.21375 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.22103 239.1
[M+Na]+ 585.20297 245.9
[M-H]- 561.20647 249.4
[M+NH4]+ 580.24757 243.0
[M+K]+ 601.17691 239.6
[M+H-H2O]+ 545.21101 227.5
[M+HCOO]- 607.21195 252.0
[M+CH3COO]- 621.22760 253.6
[M+Na-2H]- 583.18842 230.8
[M]+ 562.21320 249.4
[M]- 562.21430 249.4
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.