CID 3074647

160518-38-7

Structural Information

Molecular Formula
C17H23ClN2O2S
SMILES
CCCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)Cl
InChI
InChI=1S/C17H23ClN2O2S/c1-2-3-4-5-10-22-16-7-6-13(11-14(16)18)15(21)12-23-17-19-8-9-20-17/h6-7,11H,2-5,8-10,12H2,1H3,(H,19,20)
InChIKey
MRTMKZUZKATTSB-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-hexoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12416 184.0
[M+Na]+ 377.10610 195.1
[M+NH4]+ 372.15070 190.7
[M+K]+ 393.08004 187.1
[M-H]- 353.10960 185.5
[M+Na-2H]- 375.09155 188.0
[M]+ 354.11633 186.6
[M]- 354.11743 186.6
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

No patent data available for this compound.