CID 3076276

Ethanone, 2-((4,5-dihydro-1h-imidazol-2-yl)thio)-1-(4-propoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCCOC1=CC=C(C=C1)C(=O)CSC2=NCCN2
InChI
InChI=1S/C14H18N2O2S/c1-2-9-18-12-5-3-11(4-6-12)13(17)10-19-14-15-7-8-16-14/h3-6H,2,7-10H2,1H3,(H,15,16)
InChIKey
YURIHWICWUXSRU-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-propoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 164.7
[M+Na]+ 301.09812 175.3
[M+NH4]+ 296.14272 171.7
[M+K]+ 317.07206 168.7
[M-H]- 277.10162 166.2
[M+Na-2H]- 299.08357 169.7
[M]+ 278.10835 166.9
[M]- 278.10945 166.9
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.