CID 3010599

83337-52-4

Structural Information

Molecular Formula
C16H20Cl2N2OS
SMILES
CCCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C16H20Cl2N2OS/c1-2-3-8-22-11-16(21,10-20-7-6-19-12-20)14-5-4-13(17)9-15(14)18/h4-7,9,12,21H,2-3,8,10-11H2,1H3
InChIKey
YIPZNAPQHCWVBO-UHFFFAOYSA-N
Compound name
1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

358.06735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07463 182.0
[M+Na]+ 381.05657 190.6
[M-H]- 357.06007 184.3
[M+NH4]+ 376.10117 195.5
[M+K]+ 397.03051 183.0
[M+H-H2O]+ 341.06461 175.0
[M+HCOO]- 403.06555 186.2
[M+CH3COO]- 417.08120 206.8
[M+Na-2H]- 379.04202 180.9
[M]+ 358.06680 188.2
[M]- 358.06790 188.2
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