CID 3827647

373375-80-5

Structural Information

Molecular Formula
C18H16N2O2S
SMILES
C=CCSC1=NC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3
InChI
InChI=1S/C18H16N2O2S/c1-2-12-23-18-19-15-10-6-7-11-16(15)20(18)17(21)13-22-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKey
ZMFMNNMQDYEIDW-UHFFFAOYSA-N
Compound name
2-phenoxy-1-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09326 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10054 174.7
[M+Na]+ 347.08248 189.3
[M+NH4]+ 342.12708 182.5
[M+K]+ 363.05642 180.6
[M-H]- 323.08598 178.1
[M+Na-2H]- 345.06793 182.2
[M]+ 324.09271 178.2
[M]- 324.09381 178.2
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.