CID 492013

1-{2-[alpha-(2-fluorophenyl)phenylmethoxy]ethyl}-2-methyl-5-nitroimidazole

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC=CC=C3F)[N+](=O)[O-]
InChI
InChI=1S/C19H18FN3O3/c1-14-21-13-18(23(24)25)22(14)11-12-26-19(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20/h2-10,13,19H,11-12H2,1H3
InChIKey
VRYRHXNOYVTWOA-UHFFFAOYSA-N
Compound name
1-[2-[(2-fluorophenyl)-phenylmethoxy]ethyl]-2-methyl-5-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1332 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.140476 182.2
[M+Na]+ 378.122418 187.9
[M-H]- 354.125924 188.3
[M+NH4]+ 373.167023 192.5
[M+K]+ 394.096358 179.0
[M+H-H2O]+ 338.130460 175.2
[M+HCOO]- 400.131401 203.3
[M+CH3COO]- 414.147051 208.5
[M+Na-2H]- 376.107866 185.2
[M]+ 355.13265142 181.4
[M]- 355.13374858 181.4
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.