CID 204322

Imidazole, 2-methyl-5-nitro-1-(phenoxyethyl)-

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=NC=C(N1CCOC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O3/c1-10-13-9-12(15(16)17)14(10)7-8-18-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
HGYKMJWNDXFZHC-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-(2-phenoxyethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.09569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 153.8
[M+Na]+ 270.084908 161.2
[M-H]- 246.088414 158.4
[M+NH4]+ 265.129513 169.2
[M+K]+ 286.058848 154.6
[M+H-H2O]+ 230.092950 149.7
[M+HCOO]- 292.093891 178.2
[M+CH3COO]- 306.109541 187.1
[M+Na-2H]- 268.070356 160.6
[M]+ 247.09514142 154.6
[M]- 247.09623858 154.6
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.