CID 492019

Chembl41356

Structural Information

Molecular Formula
C23H22N4O3
SMILES
CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC(=CC=C3)N4C=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H22N4O3/c1-18-24-17-22(27(28)29)26(18)14-15-30-23(19-8-3-2-4-9-19)20-10-7-11-21(16-20)25-12-5-6-13-25/h2-13,16-17,23H,14-15H2,1H3
InChIKey
SVGOGQXWLDTMCA-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-[2-[phenyl-(3-pyrrol-1-ylphenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

402.1692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 195.1
[M+Na]+ 425.15842 200.2
[M-H]- 401.16192 205.0
[M+NH4]+ 420.20302 203.4
[M+K]+ 441.13236 190.8
[M+H-H2O]+ 385.16646 187.6
[M+HCOO]- 447.16740 217.7
[M+CH3COO]- 461.18305 216.2
[M+Na-2H]- 423.14387 197.4
[M]+ 402.16865 196.4
[M]- 402.16975 196.4
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.