CID 3012216

1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole

Structural Information

Molecular Formula
C19H17F3N2O
SMILES
C1=CC=C(C=C1)C(CCN2C=CN=C2)OC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H17F3N2O/c20-19(21,22)16-6-8-17(9-7-16)25-18(15-4-2-1-3-5-15)10-12-24-13-11-23-14-24/h1-9,11,13-14,18H,10,12H2
InChIKey
XXBMUFKLXRCIFB-UHFFFAOYSA-N
Compound name
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.1293 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13658 178.9
[M+Na]+ 369.11852 185.6
[M-H]- 345.12202 181.7
[M+NH4]+ 364.16312 190.3
[M+K]+ 385.09246 179.7
[M+H-H2O]+ 329.12656 166.1
[M+HCOO]- 391.12750 195.3
[M+CH3COO]- 405.14315 209.7
[M+Na-2H]- 367.10397 180.9
[M]+ 346.12875 176.2
[M]- 346.12985 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.