CID 3068278

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

Structural Information

Molecular Formula
C16H20Cl2N2O2
SMILES
CCCCOCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C16H20Cl2N2O2/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
ODYKOLXJOUTZPZ-UHFFFAOYSA-N
Compound name
1-butoxy-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.09018 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09746 179.1
[M+Na]+ 365.07940 187.3
[M-H]- 341.08290 180.9
[M+NH4]+ 360.12400 192.3
[M+K]+ 381.05334 180.5
[M+H-H2O]+ 325.08744 171.2
[M+HCOO]- 387.08838 188.2
[M+CH3COO]- 401.10403 205.3
[M+Na-2H]- 363.06485 181.0
[M]+ 342.08963 184.7
[M]- 342.09073 184.7
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