CID 1716371

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

Structural Information

Molecular Formula
C16H22N2S
SMILES
CC1=C(N=CN1)CSCCCCCC2=CC=CC=C2
InChI
InChI=1S/C16H22N2S/c1-14-16(18-13-17-14)12-19-11-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,17,18)
InChIKey
CFHMLLOGBDCSFP-UHFFFAOYSA-N
Compound name
5-methyl-4-(5-phenylpentylsulfanylmethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15036 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 164.5
[M+Na]+ 297.13958 171.6
[M-H]- 273.14308 166.8
[M+NH4]+ 292.18418 180.0
[M+K]+ 313.11352 165.4
[M+H-H2O]+ 257.14762 156.3
[M+HCOO]- 319.14856 180.0
[M+CH3COO]- 333.16421 195.5
[M+Na-2H]- 295.12503 164.5
[M]+ 274.14981 167.0
[M]- 274.15091 167.0
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.