CID 6448180

3,5-dihydro-5-(furanylmethylene)-3-(2-methoxy-4-nitrophenyl)-2-phenyl-4h-imidazol-4-one

Structural Information

Molecular Formula
C21H15N3O5
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=N/C(=C\C3=CC=CO3)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H15N3O5/c1-28-19-12-15(24(26)27)9-10-18(19)23-20(14-6-3-2-4-7-14)22-17(21(23)25)13-16-8-5-11-29-16/h2-13H,1H3/b17-13-
InChIKey
QOVZNEIZNXVPJZ-LGMDPLHJSA-N
Compound name
(5Z)-5-(furan-2-ylmethylidene)-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.10117 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10845 189.2
[M+Na]+ 412.09039 204.1
[M+NH4]+ 407.13499 194.9
[M+K]+ 428.06433 203.8
[M-H]- 388.09389 197.1
[M+Na-2H]- 410.07584 197.2
[M]+ 389.10062 193.3
[M]- 389.10172 193.3
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.