CID 204346

Imidazole, 2-methyl-4-nitro-1-(phenoxyethyl)-

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CC1=NC(=CN1CCOC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O3/c1-10-13-12(15(16)17)9-14(10)7-8-18-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
MMIWYYDIEDIIGY-UHFFFAOYSA-N
Compound name
2-methyl-4-nitro-1-(2-phenoxyethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.8
[M+Na]+ 270.08491 161.2
[M-H]- 246.08841 158.4
[M+NH4]+ 265.12951 169.2
[M+K]+ 286.05885 154.6
[M+H-H2O]+ 230.09295 149.7
[M+HCOO]- 292.09389 178.2
[M+CH3COO]- 306.10954 187.1
[M+Na-2H]- 268.07036 160.6
[M]+ 247.09514 154.6
[M]- 247.09624 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.