CID 6447596

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

Structural Information

Molecular Formula
C25H21N3O5
SMILES
CC1=N/C(=C\C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=O)N1C4=C(C=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C25H21N3O5/c1-17-26-22(25(29)27(17)23-13-10-20(28(30)31)15-24(23)32-2)14-18-8-11-21(12-9-18)33-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3/b22-14-
InChIKey
BYMWZBKLYOSJTK-HMAPJEAMSA-N
Compound name
(5Z)-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14813 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15541 208.5
[M+Na]+ 466.13735 214.1
[M-H]- 442.14085 219.1
[M+NH4]+ 461.18195 214.8
[M+K]+ 482.11129 204.1
[M+H-H2O]+ 426.14539 200.5
[M+HCOO]- 488.14633 229.5
[M+CH3COO]- 502.16198 224.8
[M+Na-2H]- 464.12280 209.5
[M]+ 443.14758 209.3
[M]- 443.14868 209.3
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.