CID 492017

1-{2-[alpha-(3-chlorophenyl)phenylmethoxy]ethyl}-2-methyl-5-nitroimidazole

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H18ClN3O3/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
ASIJIZKHURAAOW-UHFFFAOYSA-N
Compound name
1-[2-[(3-chlorophenyl)-phenylmethoxy]ethyl]-2-methyl-5-nitroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.10367 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 187.7
[M+Na]+ 394.09289 193.6
[M-H]- 370.09639 194.6
[M+NH4]+ 389.13749 198.1
[M+K]+ 410.06683 184.0
[M+H-H2O]+ 354.10093 181.9
[M+HCOO]- 416.10187 205.0
[M+CH3COO]- 430.11752 209.4
[M+Na-2H]- 392.07834 190.5
[M]+ 371.10312 190.1
[M]- 371.10422 190.1
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.