CID 11843665

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

Structural Information

Molecular Formula
C30H32N2O5S
SMILES
COC1=C(C=C(C=C1)CCN2/C(=C/C3=CC=CC=C3)/C(=O)N(C2=S)CCC4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C30H32N2O5S/c1-34-25-12-10-22(19-27(25)36-3)14-16-31-24(18-21-8-6-5-7-9-21)29(33)32(30(31)38)17-15-23-11-13-26(35-2)28(20-23)37-4/h5-13,18-20H,14-17H2,1-4H3/b24-18+
InChIKey
YRCZHXHVCLRDHE-HKOYGPOVSA-N
Compound name
(5E)-5-benzylidene-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2032 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.21048 232.5
[M+Na]+ 555.19242 239.4
[M-H]- 531.19592 242.7
[M+NH4]+ 550.23702 237.6
[M+K]+ 571.16636 232.4
[M+H-H2O]+ 515.20046 221.0
[M+HCOO]- 577.20140 245.7
[M+CH3COO]- 591.21705 247.4
[M+Na-2H]- 553.17787 224.9
[M]+ 532.20265 240.6
[M]- 532.20375 240.6
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.