CID 492016

Bdbm2413

Structural Information

Molecular Formula

C₁₉H₁₈FN₃O₃

SMILES

CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O3/c1-14-21-13-18(23(24)25)22(14)10-11-26-19(15-6-3-2-4-7-15)16-8-5-9-17(20)12-16/h2-9,12-13,19H,10-11H2,1H3

InChIKey

DVHCHOPACQEAAQ-UHFFFAOYSA-N

Compound name

1-[2-[(3-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.