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 178.6
[M+Na]+ 360.09548 186.3
[M-H]- 336.09898 186.7
[M+NH4]+ 355.14008 190.2
[M+K]+ 376.06942 177.3
[M+H-H2O]+ 320.10352 173.2
[M+HCOO]- 382.10446 201.2
[M+CH3COO]- 396.12011 204.5
[M+Na-2H]- 358.08093 181.7
[M]+ 337.10571 178.4
[M]- 337.10681 178.4
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.