CID 11843668

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

Structural Information

Molecular Formula
C30H31ClN2O5S
SMILES
COC1=C(C=C(C=C1)CCN2/C(=C/C3=CC=CC=C3Cl)/C(=O)N(C2=S)CCC4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C30H31ClN2O5S/c1-35-25-11-9-20(17-27(25)37-3)13-15-32-24(19-22-7-5-6-8-23(22)31)29(34)33(30(32)39)16-14-21-10-12-26(36-2)28(18-21)38-4/h5-12,17-19H,13-16H2,1-4H3/b24-19+
InChIKey
PXYGYIYIAXKQQU-LYBHJNIJSA-N
Compound name
(5E)-5-[(2-chlorophenyl)methylidene]-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

566.16425 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.17153 238.8
[M+Na]+ 589.15347 247.1
[M-H]- 565.15697 249.3
[M+NH4]+ 584.19807 243.7
[M+K]+ 605.12741 239.2
[M+H-H2O]+ 549.16151 228.0
[M+HCOO]- 611.16245 247.4
[M+CH3COO]- 625.17810 251.8
[M+Na-2H]- 587.13892 230.2
[M]+ 566.16370 249.6
[M]- 566.16480 249.6
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.