CID 3055637

1h-imidazole, 4,5-dihydro-2-(((2,3,5,6-tetramethylphenyl)thio)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2S
SMILES
CC1=CC(=C(C(=C1C)SCC2=NCCN2)C)C
InChI
InChI=1S/C14H20N2S/c1-9-7-10(2)12(4)14(11(9)3)17-8-13-15-5-6-16-13/h7H,5-6,8H2,1-4H3,(H,15,16)
InChIKey
LACSIUWFMJNYDL-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.13472 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14200 159.5
[M+Na]+ 271.12394 172.5
[M+NH4]+ 266.16854 168.1
[M+K]+ 287.09788 164.7
[M-H]- 247.12744 162.7
[M+Na-2H]- 269.10939 165.0
[M]+ 248.13417 162.8
[M]- 248.13527 162.8
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.