CID 3012221

Chembl187110

Structural Information

Molecular Formula
C18H16F2N2O
SMILES
C1=CC=C(C=C1)C(CCN2C=CN=C2)OC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C18H16F2N2O/c19-15-6-7-18(16(20)12-15)23-17(14-4-2-1-3-5-14)8-10-22-11-9-21-13-22/h1-7,9,11-13,17H,8,10H2
InChIKey
UBEMFTSOPBGDQF-UHFFFAOYSA-N
Compound name
1-[3-(2,4-difluorophenoxy)-3-phenylpropyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.12308 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13036 171.0
[M+Na]+ 337.11230 178.6
[M-H]- 313.11580 175.4
[M+NH4]+ 332.15690 183.9
[M+K]+ 353.08624 172.8
[M+H-H2O]+ 297.12034 158.9
[M+HCOO]- 359.12128 190.4
[M+CH3COO]- 373.13693 181.4
[M+Na-2H]- 335.09775 172.6
[M]+ 314.12253 170.0
[M]- 314.12363 170.0
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.