CID 3076440

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

Structural Information

Molecular Formula
C15H20N2S
SMILES
CC1=C(N=CN1)CSCCCCC2=CC=CC=C2
InChI
InChI=1S/C15H20N2S/c1-13-15(17-12-16-13)11-18-10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,16,17)
InChIKey
LAVIEHTZCSYRKA-UHFFFAOYSA-N
Compound name
5-methyl-4-(4-phenylbutylsulfanylmethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1347 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 161.6
[M+Na]+ 283.12392 174.2
[M+NH4]+ 278.16852 170.1
[M+K]+ 299.09786 165.4
[M-H]- 259.12742 164.8
[M+Na-2H]- 281.10937 168.5
[M]+ 260.13415 164.8
[M]- 260.13525 164.8
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.