CID 11843534

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

Structural Information

Molecular Formula
C30H31FN2O5S
SMILES
COC1=C(C=C(C=C1)CCN2/C(=C/C3=CC=C(C=C3)F)/C(=O)N(C2=S)CCC4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C30H31FN2O5S/c1-35-25-11-7-21(18-27(25)37-3)13-15-32-24(17-20-5-9-23(31)10-6-20)29(34)33(30(32)39)16-14-22-8-12-26(36-2)28(19-22)38-4/h5-12,17-19H,13-16H2,1-4H3/b24-17+
InChIKey
YCVNXXRIWDAEQP-JJIBRWJFSA-N
Compound name
(5E)-1,3-bis[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-fluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.1938 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.20108 235.6
[M+Na]+ 573.18302 243.3
[M-H]- 549.18652 244.8
[M+NH4]+ 568.22762 240.2
[M+K]+ 589.15696 235.9
[M+H-H2O]+ 533.19106 223.4
[M+HCOO]- 595.19200 247.7
[M+CH3COO]- 609.20765 251.2
[M+Na-2H]- 571.16847 226.8
[M]+ 550.19325 243.3
[M]- 550.19435 243.3
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.