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 171.7
[M+Na]+ 327.09264 181.8
[M-H]- 303.09614 179.5
[M+NH4]+ 322.13724 186.6
[M+K]+ 343.06658 173.9
[M+H-H2O]+ 287.10068 162.8
[M+HCOO]- 349.10162 189.6
[M+CH3COO]- 363.11727 183.4
[M+Na-2H]- 325.07809 171.4
[M]+ 304.10287 173.9
[M]- 304.10397 173.9
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.