CID 6448645

2-(1,2-dibenzoylvinyl)thio-4,5-diphenylimidazole

Structural Information

Molecular Formula
C31H22N2O2S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)S/C(=C/C(=O)C3=CC=CC=C3)/C(=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H22N2O2S/c34-26(22-13-5-1-6-14-22)21-27(30(35)25-19-11-4-12-20-25)36-31-32-28(23-15-7-2-8-16-23)29(33-31)24-17-9-3-10-18-24/h1-21H,(H,32,33)/b27-21+
InChIKey
SVJJYWARJHATDN-SZXQPVLSSA-N
Compound name
(E)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-1,4-diphenylbut-2-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1402 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.14748 218.3
[M+Na]+ 509.12942 222.6
[M-H]- 485.13292 229.3
[M+NH4]+ 504.17402 222.5
[M+K]+ 525.10336 213.2
[M+H-H2O]+ 469.13746 206.7
[M+HCOO]- 531.13840 230.4
[M+CH3COO]- 545.15405 224.4
[M+Na-2H]- 507.11487 214.8
[M]+ 486.13965 216.8
[M]- 486.14075 216.8
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.