CID 52768

73932-17-9

Structural Information

Molecular Formula
C17H14N2OS
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H14N2OS/c20-16(12-19-11-10-18-13-19)15-8-4-5-9-17(15)21-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKey
QTAUPHSZDMPWSH-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.08267 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08995 166.3
[M+Na]+ 317.07189 181.3
[M+NH4]+ 312.11649 175.1
[M+K]+ 333.04583 172.6
[M-H]- 293.07539 171.9
[M+Na-2H]- 315.05734 176.7
[M]+ 294.08212 170.6
[M]- 294.08322 170.6
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

patents stripe