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]+ 311.155406 173.1
[M+Na]+ 333.137348 181.7
[M-H]- 309.140854 178.3
[M+NH4]+ 328.181953 186.3
[M+K]+ 349.111288 175.4
[M+H-H2O]+ 293.145390 162.8
[M+HCOO]- 355.146331 191.9
[M+CH3COO]- 369.161981 183.8
[M+Na-2H]- 331.122796 173.0
[M]+ 310.14758142 172.6
[M]- 310.14867858 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