CID 11843666

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

Structural Information

Molecular Formula
C32H37N3O5S
SMILES
CN(C)C1=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/C32H37N3O5S/c1-33(2)25-11-7-22(8-12-25)19-26-31(36)35(18-16-24-10-14-28(38-4)30(21-24)40-6)32(41)34(26)17-15-23-9-13-27(37-3)29(20-23)39-5/h7-14,19-21H,15-18H2,1-6H3/b26-19+
InChIKey
WFFWUJKXRSVGAF-LGUFXXKBSA-N
Compound name
(5E)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2454 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.25268 243.9
[M+Na]+ 598.23462 249.6
[M-H]- 574.23812 255.3
[M+NH4]+ 593.27922 247.6
[M+K]+ 614.20856 243.7
[M+H-H2O]+ 558.24266 231.9
[M+HCOO]- 620.24360 257.7
[M+CH3COO]- 634.25925 262.5
[M+Na-2H]- 596.22007 235.3
[M]+ 575.24485 253.7
[M]- 575.24595 253.7
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.