CID 3068277

83337-64-8

Structural Information

Molecular Formula
C20H28Cl2N2OS
SMILES
CCCCCCCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C20H28Cl2N2OS/c1-2-3-4-5-6-7-12-26-15-20(25,14-24-11-10-23-16-24)18-9-8-17(21)13-19(18)22/h8-11,13,16,25H,2-7,12,14-15H2,1H3
InChIKey
JLRXQFRQQBUCMN-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-octylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.12994 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13722 198.9
[M+Na]+ 437.11916 205.7
[M-H]- 413.12266 200.5
[M+NH4]+ 432.16376 210.2
[M+K]+ 453.09310 197.2
[M+H-H2O]+ 397.12720 191.1
[M+HCOO]- 459.12814 201.9
[M+CH3COO]- 473.14379 218.3
[M+Na-2H]- 435.10461 196.0
[M]+ 414.12939 206.6
[M]- 414.13049 206.6
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

patents stripe