CID 11843664

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

Structural Information

Molecular Formula
C30H31BrN2O5S
SMILES
COC1=C(C=C(C=C1)CCN2/C(=C/C3=CC(=CC=C3)Br)/C(=O)N(C2=S)CCC4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C30H31BrN2O5S/c1-35-25-10-8-20(18-27(25)37-3)12-14-32-24(17-22-6-5-7-23(31)16-22)29(34)33(30(32)39)15-13-21-9-11-26(36-2)28(19-21)38-4/h5-11,16-19H,12-15H2,1-4H3/b24-17+
InChIKey
BJVHVJPRSHWPIZ-JJIBRWJFSA-N
Compound name
(5E)-5-[(3-bromophenyl)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

610.1137 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.12098 232.1
[M+Na]+ 633.10292 241.9
[M-H]- 609.10642 244.5
[M+NH4]+ 628.14752 238.8
[M+K]+ 649.07686 228.5
[M+H-H2O]+ 593.11096 228.2
[M+HCOO]- 655.11190 243.4
[M+CH3COO]- 669.12755 253.6
[M+Na-2H]- 631.08837 226.2
[M]+ 610.11315 258.5
[M]- 610.11425 258.5
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.