CID 827135

1h-imidazole, 4-((((4-chlorophenyl)methyl)thio)methyl)-5-methyl-, monohydrochloride

Structural Information

Molecular Formula
C12H13ClN2S
SMILES
CC1=C(N=CN1)CSCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2S/c1-9-12(15-8-14-9)7-16-6-10-2-4-11(13)5-3-10/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey
OLNROQBEBPDIFI-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methylsulfanylmethyl]-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

252.0488 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05608 155.4
[M+Na]+ 275.03802 169.8
[M+NH4]+ 270.08262 164.6
[M+K]+ 291.01196 160.9
[M-H]- 251.04152 158.7
[M+Na-2H]- 273.02347 162.7
[M]+ 252.04825 159.2
[M]- 252.04935 159.2
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.