CID 4585704

1-(4-fluorophenyl)-5-(hydroxymethyl)-4-isopropyl-2-phenylimidazole

Structural Information

Molecular Formula
C19H19FN2O
SMILES
CC(C)C1=C(N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)F)CO
InChI
InChI=1S/C19H19FN2O/c1-13(2)18-17(12-23)22(16-10-8-15(20)9-11-16)19(21-18)14-6-4-3-5-7-14/h3-11,13,23H,12H2,1-2H3
InChIKey
SDZYXNDHITZMBG-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylimidazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.14813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15541 173.1
[M+Na]+ 333.13735 181.7
[M-H]- 309.14085 178.3
[M+NH4]+ 328.18195 186.3
[M+K]+ 349.11129 175.4
[M+H-H2O]+ 293.14539 162.8
[M+HCOO]- 355.14633 191.9
[M+CH3COO]- 369.16198 183.8
[M+Na-2H]- 331.12280 173.0
[M]+ 310.14758 172.6
[M]- 310.14868 172.6
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