CID 3074665

160518-48-9

Structural Information

Molecular Formula
C17H23ClN2O2S
SMILES
CCCCCOC1=C(C=C(C=C1)C(=O)CSC2=NCCN2C)Cl
InChI
InChI=1S/C17H23ClN2O2S/c1-3-4-5-10-22-16-7-6-13(11-14(16)18)15(21)12-23-17-19-8-9-20(17)2/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKey
NPEHMQWOMAJVSI-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-pentoxyphenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12416 184.2
[M+Na]+ 377.10610 196.2
[M+NH4]+ 372.15070 191.3
[M+K]+ 393.08004 188.1
[M-H]- 353.10960 186.3
[M+Na-2H]- 375.09155 188.5
[M]+ 354.11633 187.1
[M]- 354.11743 187.1
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.