CID 773813

Imidazole, 4,5-diphenyl-2-(vinylthio)-

Structural Information

Molecular Formula
C17H14N2S
SMILES
C=CSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2S/c1-2-20-17-18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h2-12H,1H2,(H,18,19)
InChIKey
ZNPJAMFOXGFCJC-UHFFFAOYSA-N
Compound name
2-ethenylsulfanyl-4,5-diphenyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08777 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09505 163.2
[M+Na]+ 301.07699 172.6
[M-H]- 277.08049 169.6
[M+NH4]+ 296.12159 178.3
[M+K]+ 317.05093 164.9
[M+H-H2O]+ 261.08503 154.8
[M+HCOO]- 323.08597 180.1
[M+CH3COO]- 337.10162 174.7
[M+Na-2H]- 299.06244 164.4
[M]+ 278.08722 163.3
[M]- 278.08832 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.