CID 473933

178979-14-1

Structural Information

Molecular Formula
C15H18Cl2N2OS
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CO
InChI
InChI=1S/C15H18Cl2N2OS/c1-4-19-13(8-20)18-14(9(2)3)15(19)21-12-6-10(16)5-11(17)7-12/h5-7,9,20H,4,8H2,1-3H3
InChIKey
MZSAARHMQCFYEG-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

344.0517 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05898 174.9
[M+Na]+ 367.04092 185.8
[M-H]- 343.04442 178.3
[M+NH4]+ 362.08552 189.8
[M+K]+ 383.01486 178.5
[M+H-H2O]+ 327.04896 169.0
[M+HCOO]- 389.04990 180.0
[M+CH3COO]- 403.06555 207.9
[M+Na-2H]- 365.02637 170.7
[M]+ 344.05115 182.1
[M]- 344.05225 182.1
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.