CID 6447597

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

Structural Information

Molecular Formula
C18H14N4O6
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H14N4O6/c1-11-19-15(9-12-3-5-13(6-4-12)21(24)25)18(23)20(11)16-8-7-14(22(26)27)10-17(16)28-2/h3-10H,1-2H3/b15-9-
InChIKey
NANXUCILRMWKJL-DHDCSXOGSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09134 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.098616 190.0
[M+Na]+ 405.080558 195.4
[M-H]- 381.084064 198.0
[M+NH4]+ 400.125163 198.1
[M+K]+ 421.054498 183.0
[M+H-H2O]+ 365.088600 188.4
[M+HCOO]- 427.089541 212.2
[M+CH3COO]- 441.105191 207.6
[M+Na-2H]- 403.066006 194.8
[M]+ 382.09079142 187.9
[M]- 382.09188858 187.9
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.