CID 3057200

Alpha-(p-butylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula
C15H20N2OS
SMILES
CCCCSC1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C15H20N2OS/c1-2-3-10-19-14-6-4-13(5-7-14)15(18)11-17-9-8-16-12-17/h4-9,12,15,18H,2-3,10-11H2,1H3
InChIKey
KDMIKXZUASHLQZ-UHFFFAOYSA-N
Compound name
1-(4-butylsulfanylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12964 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13692 164.3
[M+Na]+ 299.11886 171.3
[M-H]- 275.12236 167.0
[M+NH4]+ 294.16346 179.6
[M+K]+ 315.09280 166.5
[M+H-H2O]+ 259.12690 156.3
[M+HCOO]- 321.12784 179.4
[M+CH3COO]- 335.14349 195.3
[M+Na-2H]- 297.10431 163.9
[M]+ 276.12909 167.3
[M]- 276.13019 167.3
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.