CID 5280121

2-methoxy-4-nitro-1-(2-octoxyethyl)imidazole

Structural Information

Molecular Formula
C14H25N3O4
SMILES
CCCCCCCCOCCN1C=C(N=C1OC)[N+](=O)[O-]
InChI
InChI=1S/C14H25N3O4/c1-3-4-5-6-7-8-10-21-11-9-16-12-13(17(18)19)15-14(16)20-2/h12H,3-11H2,1-2H3
InChIKey
YCUBIPAPZAIIGJ-UHFFFAOYSA-N
Compound name
2-methoxy-4-nitro-1-(2-octoxyethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19178 173.3
[M+Na]+ 322.17372 178.6
[M-H]- 298.17722 173.7
[M+NH4]+ 317.21832 187.0
[M+K]+ 338.14766 172.8
[M+H-H2O]+ 282.18176 169.3
[M+HCOO]- 344.18270 195.8
[M+CH3COO]- 358.19835 199.5
[M+Na-2H]- 320.15917 176.9
[M]+ 299.18395 178.7
[M]- 299.18505 178.7
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.