CID 3068276

2-(2,4-dichlorophenyl)-3-(n-hexylthio)-1-(imidazol-1-yl)-2-propanol

Structural Information

Molecular Formula
C18H24Cl2N2OS
SMILES
CCCCCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C18H24Cl2N2OS/c1-2-3-4-5-10-24-13-18(23,12-22-9-8-21-14-22)16-7-6-15(19)11-17(16)20/h6-9,11,14,23H,2-5,10,12-13H2,1H3
InChIKey
LJAIBGBDBUDJOU-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-hexylsulfanyl-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.09863 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10591 190.5
[M+Na]+ 409.08785 198.2
[M-H]- 385.09135 192.4
[M+NH4]+ 404.13245 202.9
[M+K]+ 425.06179 190.1
[M+H-H2O]+ 369.09589 183.1
[M+HCOO]- 431.09683 194.1
[M+CH3COO]- 445.11248 212.6
[M+Na-2H]- 407.07330 188.5
[M]+ 386.09808 197.4
[M]- 386.09918 197.4
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

patents stripe