CID 6447600

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

Structural Information

Molecular Formula
C20H18N4O8
SMILES
CC1=N/C(=C\C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C(=O)N1C3=C(C=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C20H18N4O8/c1-11-21-14(7-12-8-18(31-3)19(32-4)10-16(12)24(28)29)20(25)22(11)15-6-5-13(23(26)27)9-17(15)30-2/h5-10H,1-4H3/b14-7-
InChIKey
DYHUJHPEAXIVBS-AUWJEWJLSA-N
Compound name
(5Z)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.11246 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11974 204.3
[M+Na]+ 465.10168 209.6
[M-H]- 441.10518 212.6
[M+NH4]+ 460.14628 210.2
[M+K]+ 481.07562 198.3
[M+H-H2O]+ 425.10972 202.4
[M+HCOO]- 487.11066 225.8
[M+CH3COO]- 501.12631 219.9
[M+Na-2H]- 463.08713 208.0
[M]+ 442.11191 205.9
[M]- 442.11301 205.9
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.