CID 24843707

103742-55-8

Structural Information

Molecular Formula
C16H12N2OS
SMILES
C1=CC=C(C=C1)C(=O)/C=C\SC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H12N2OS/c19-15(12-6-2-1-3-7-12)10-11-20-16-17-13-8-4-5-9-14(13)18-16/h1-11H,(H,17,18)/b11-10-
InChIKey
DOPMUJWDCDQNIH-KHPPLWFESA-N
Compound name
(Z)-3-(1H-benzimidazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07433 162.2
[M+Na]+ 303.05627 176.9
[M+NH4]+ 298.10087 170.7
[M+K]+ 319.03021 168.2
[M-H]- 279.05977 165.6
[M+Na-2H]- 301.04172 170.4
[M]+ 280.06650 165.8
[M]- 280.06760 165.8
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.