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 218.3
[M+Na]+ 507.16390 221.0
[M-H]- 483.16740 230.0
[M+NH4]+ 502.20850 219.1
[M+K]+ 523.13784 211.4
[M+H-H2O]+ 467.17194 208.2
[M+HCOO]- 529.17288 232.9
[M+CH3COO]- 543.18853 231.3
[M+Na-2H]- 505.14935 218.0
[M]+ 484.17413 213.7
[M]- 484.17523 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.