CID 6448400

4h-imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-3-(4-(4-morpholinyl)phenyl)-2-(4-nitrophenyl)-

Structural Information

Molecular Formula
C27H24N4O5
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C27H24N4O5/c1-35-24-12-2-19(3-13-24)18-25-27(32)30(26(28-25)20-4-6-23(7-5-20)31(33)34)22-10-8-21(9-11-22)29-14-16-36-17-15-29/h2-13,18H,14-17H2,1H3/b25-18-
InChIKey
OQWMIYJEQYZUHR-BWAHOGKJSA-N
Compound name
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-(4-nitrophenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.17468 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.181956 218.3
[M+Na]+ 507.163898 221.0
[M-H]- 483.167404 230.0
[M+NH4]+ 502.208503 219.1
[M+K]+ 523.137838 211.4
[M+H-H2O]+ 467.171940 208.2
[M+HCOO]- 529.172881 232.9
[M+CH3COO]- 543.188531 231.3
[M+Na-2H]- 505.149346 218.0
[M]+ 484.17413142 213.7
[M]- 484.17522858 213.7
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.