CID 3042257

Brn 0751584

Structural Information

Molecular Formula
C19H16N2S
SMILES
C=CN1C(=C(N=C1SC=C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2S/c1-3-21-18(16-13-9-6-10-14-16)17(20-19(21)22-4-2)15-11-7-5-8-12-15/h3-14H,1-2H2
InChIKey
SZDFHZRXSULOIT-UHFFFAOYSA-N
Compound name
1-ethenyl-2-ethenylsulfanyl-4,5-diphenylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.10342 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11070 172.3
[M+Na]+ 327.09264 188.6
[M+NH4]+ 322.13724 181.2
[M+K]+ 343.06658 178.3
[M-H]- 303.09614 178.4
[M+Na-2H]- 325.07809 182.4
[M]+ 304.10287 177.1
[M]- 304.10397 177.1
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.