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 157.3
[M+Na]+ 271.12394 166.9
[M-H]- 247.12744 160.8
[M+NH4]+ 266.16854 174.7
[M+K]+ 287.09788 161.4
[M+H-H2O]+ 231.13198 150.4
[M+HCOO]- 293.13292 172.0
[M+CH3COO]- 307.14857 193.3
[M+Na-2H]- 269.10939 155.3
[M]+ 248.13417 159.0
[M]- 248.13527 159.0
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.