CID 6448400

Brn 4612050

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]+ 485.18196 215.6
[M+Na]+ 507.16390 231.3
[M+NH4]+ 502.20850 220.6
[M+K]+ 523.13784 228.0
[M-H]- 483.16740 225.6
[M+Na-2H]- 505.14935 224.4
[M]+ 484.17413 220.5
[M]- 484.17523 220.5
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.