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 175.6
[M+Na]+ 347.08248 185.4
[M-H]- 323.08598 181.2
[M+NH4]+ 342.12708 190.6
[M+K]+ 363.05642 179.3
[M+H-H2O]+ 307.09052 167.2
[M+HCOO]- 369.09146 193.0
[M+CH3COO]- 383.10711 186.9
[M+Na-2H]- 345.06793 177.4
[M]+ 324.09271 182.0
[M]- 324.09381 182.0
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.