CID 3057199

Alpha-(p-isopropylthiophenyl)-1-imidazoleethanol

Structural Information

Molecular Formula
C14H18N2OS
SMILES
CC(C)SC1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C14H18N2OS/c1-11(2)18-13-5-3-12(4-6-13)14(17)9-16-8-7-15-10-16/h3-8,10-11,14,17H,9H2,1-2H3
InChIKey
KCEYYADUZJLLTI-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-propan-2-ylsulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11398 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12126 160.3
[M+Na]+ 285.10320 167.4
[M-H]- 261.10670 163.3
[M+NH4]+ 280.14780 176.1
[M+K]+ 301.07714 163.3
[M+H-H2O]+ 245.11124 152.6
[M+HCOO]- 307.11218 174.6
[M+CH3COO]- 321.12783 193.2
[M+Na-2H]- 283.08865 159.3
[M]+ 262.11343 162.4
[M]- 262.11453 162.4
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.