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]+ 248.10297 152.9
[M+Na]+ 270.08491 166.5
[M+NH4]+ 265.12951 160.1
[M+K]+ 286.05885 164.5
[M-H]- 246.08841 156.4
[M+Na-2H]- 268.07036 160.2
[M]+ 247.09514 155.6
[M]- 247.09624 155.6
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.