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]+ 329.121536 176.4
[M+Na]+ 351.103478 186.3
[M-H]- 327.106984 182.4
[M+NH4]+ 346.148083 190.4
[M+K]+ 367.077418 178.6
[M+H-H2O]+ 311.111520 166.0
[M+HCOO]- 373.112461 191.7
[M+CH3COO]- 387.128111 187.4
[M+Na-2H]- 349.088926 176.1
[M]+ 328.11371142 178.5
[M]- 328.11480858 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