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 176.4
[M+Na]+ 351.10348 186.3
[M-H]- 327.10698 182.4
[M+NH4]+ 346.14808 190.4
[M+K]+ 367.07742 178.6
[M+H-H2O]+ 311.11152 166.0
[M+HCOO]- 373.11246 191.7
[M+CH3COO]- 387.12811 187.4
[M+Na-2H]- 349.08893 176.1
[M]+ 328.11371 178.5
[M]- 328.11481 178.5
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