CID 6447589

3-(2-methoxy-4-nitrophenyl)-2-methyl-5-(phenylmethylene)-3,5-dihydro-4h-imidazol-4-one

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CC1=N/C(=C\C2=CC=CC=C2)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H15N3O4/c1-12-19-15(10-13-6-4-3-5-7-13)18(22)20(12)16-9-8-14(21(23)24)11-17(16)25-2/h3-11H,1-2H3/b15-10-
InChIKey
BPZQYIGTDBXQCV-GDNBJRDFSA-N
Compound name
(5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10626 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11354 177.5
[M+Na]+ 360.09548 192.4
[M+NH4]+ 355.14008 183.6
[M+K]+ 376.06942 189.8
[M-H]- 336.09898 182.7
[M+Na-2H]- 358.08093 185.1
[M]+ 337.10571 180.9
[M]- 337.10681 180.9
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.