CID 6481270

Chembl20456

Structural Information

Molecular Formula
C18H17N3O3
SMILES
COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])N3C=CN=C3
InChI
InChI=1S/C18H17N3O3/c1-24-17-8-4-15(5-9-17)18(20-11-10-19-13-20)12-14-2-6-16(7-3-14)21(22)23/h2-11,13,18H,12H2,1H3
InChIKey
FMEDYFIQUNILSC-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-2-(4-nitrophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.12698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 174.9
[M+Na]+ 346.116198 180.1
[M-H]- 322.119704 182.1
[M+NH4]+ 341.160803 186.3
[M+K]+ 362.090138 171.9
[M+H-H2O]+ 306.124240 168.9
[M+HCOO]- 368.125181 197.4
[M+CH3COO]- 382.140831 201.8
[M+Na-2H]- 344.101646 179.7
[M]+ 323.12643142 174.4
[M]- 323.12752858 174.4
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.