CID 474010

178982-63-3

Structural Information

Molecular Formula
C15H18Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CCO)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H18Cl2N2OS/c1-9(2)14-15(19(3)13(18-14)4-5-20)21-12-7-10(16)6-11(17)8-12/h6-9,20H,4-5H2,1-3H3
InChIKey
IJGBLJMMGAVYSE-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

344.0517 Da
Monoisotopic Mass

4.4
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

literature stripe

Patent stripe

patents stripe