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]+ 279.095046 163.2
[M+Na]+ 301.076988 172.6
[M-H]- 277.080494 169.6
[M+NH4]+ 296.121593 178.3
[M+K]+ 317.050928 164.9
[M+H-H2O]+ 261.085030 154.8
[M+HCOO]- 323.085971 180.1
[M+CH3COO]- 337.101621 174.7
[M+Na-2H]- 299.062436 164.4
[M]+ 278.08722142 163.3
[M]- 278.08831858 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.