CID 4095215

5-(chloromethyl)-1-(4-fluorophenyl)-4-isopropyl-2-phenyl-1h-imidazole

Structural Information

Molecular Formula
C19H18ClFN2
SMILES
CC(C)C1=C(N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)CCl
InChI
InChI=1S/C19H18ClFN2/c1-13(2)18-17(12-20)23(16-10-8-15(21)9-11-16)19(22-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3
InChIKey
NJPCJSAUCHIKES-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(4-fluorophenyl)-2-phenyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.11426 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12154 178.1
[M+Na]+ 351.10348 194.3
[M+NH4]+ 346.14808 186.4
[M+K]+ 367.07742 186.4
[M-H]- 327.10698 182.6
[M+Na-2H]- 349.08893 187.5
[M]+ 328.11371 182.1
[M]- 328.11481 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

No literature data available for this compound.

Patent stripe

patents stripe