CID 476885

Chembl435764

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H23N3O3/c1-19-26-18-24(28(29)30)27(19)16-17-31-25(22-10-6-3-7-11-22)23-14-12-21(13-15-23)20-8-4-2-5-9-20/h2-15,18,25H,16-17H2,1H3
InChIKey
TWEGXMUDMUOBQW-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-[2-[phenyl-(4-phenylphenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

413.17395 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 201.0
[M+Na]+ 436.16317 204.5
[M-H]- 412.16667 210.7
[M+NH4]+ 431.20777 208.0
[M+K]+ 452.13711 194.5
[M+H-H2O]+ 396.17121 192.8
[M+HCOO]- 458.17215 221.8
[M+CH3COO]- 472.18780 219.7
[M+Na-2H]- 434.14862 203.5
[M]+ 413.17340 200.2
[M]- 413.17450 200.2
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.