CID 3076438

1h-imidazole, 4-methyl-5-(((3-phenylpropyl)thio)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=C(N=CN1)CSCCCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2S/c1-12-14(16-11-15-12)10-17-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3,(H,15,16)
InChIKey
KUNYDXDGBJPZHF-UHFFFAOYSA-N
Compound name
5-methyl-4-(3-phenylpropylsulfanylmethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 157.2
[M+Na]+ 269.10828 170.0
[M+NH4]+ 264.15288 165.9
[M+K]+ 285.08222 161.5
[M-H]- 245.11178 160.4
[M+Na-2H]- 267.09373 164.3
[M]+ 246.11851 160.4
[M]- 246.11961 160.4
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.