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]+ 383.09862 190.0
[M+Na]+ 405.08056 195.4
[M-H]- 381.08406 198.0
[M+NH4]+ 400.12516 198.1
[M+K]+ 421.05450 183.0
[M+H-H2O]+ 365.08860 188.4
[M+HCOO]- 427.08954 212.2
[M+CH3COO]- 441.10519 207.6
[M+Na-2H]- 403.06601 194.8
[M]+ 382.09079 187.9
[M]- 382.09189 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.