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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14048 182.2
[M+Na]+ 378.12242 187.9
[M-H]- 354.12592 188.3
[M+NH4]+ 373.16702 192.5
[M+K]+ 394.09636 179.0
[M+H-H2O]+ 338.13046 175.2
[M+HCOO]- 400.13140 203.3
[M+CH3COO]- 414.14705 208.5
[M+Na-2H]- 376.10787 185.2
[M]+ 355.13265 181.4
[M]- 355.13375 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.