CID 3007455

Chembl26408

Structural Information

Molecular Formula
C18H15N3O3
SMILES
C=C(C1=CC=CC=C1OCC2=CC=C(C=C2)[N+](=O)[O-])N3C=CN=C3
InChI
InChI=1S/C18H15N3O3/c1-14(20-11-10-19-13-20)17-4-2-3-5-18(17)24-12-15-6-8-16(9-7-15)21(22)23/h2-11,13H,1,12H2
InChIKey
RRFCLKRFYXRJJP-UHFFFAOYSA-N
Compound name
1-[1-[2-[(4-nitrophenyl)methoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.11133 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 174.3
[M+Na]+ 344.10055 179.7
[M-H]- 320.10405 181.6
[M+NH4]+ 339.14515 185.7
[M+K]+ 360.07449 171.0
[M+H-H2O]+ 304.10859 168.3
[M+HCOO]- 366.10953 196.9
[M+CH3COO]- 380.12518 200.9
[M+Na-2H]- 342.08600 179.0
[M]+ 321.11078 173.1
[M]- 321.11188 173.1
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.