CID 6448394

Brn 4595770

Structural Information

Molecular Formula
C27H25N3O3
SMILES
COC1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3)/C(=O)N2C4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C27H25N3O3/c1-32-24-13-7-21(8-14-24)26-28-25(19-20-5-3-2-4-6-20)27(31)30(26)23-11-9-22(10-12-23)29-15-17-33-18-16-29/h2-14,19H,15-18H2,1H3/b25-19-
InChIKey
JETLWSBXRFYUDW-PLRJNAJWSA-N
Compound name
(5Z)-5-benzylidene-2-(4-methoxyphenyl)-3-(4-morpholin-4-ylphenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19688 209.4
[M+Na]+ 462.17882 214.6
[M-H]- 438.18232 220.8
[M+NH4]+ 457.22342 213.4
[M+K]+ 478.15276 208.1
[M+H-H2O]+ 422.18686 195.4
[M+HCOO]- 484.18780 223.6
[M+CH3COO]- 498.20345 216.5
[M+Na-2H]- 460.16427 206.7
[M]+ 439.18905 206.2
[M]- 439.19015 206.2
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.