CID 6448401

Brn 4603792

Structural Information

Molecular Formula
C28H27N3O4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5CCOCC5)OC
InChI
InChI=1S/C28H27N3O4/c1-33-25-13-8-20(19-26(25)34-2)18-24-28(32)31(27(29-24)21-6-4-3-5-7-21)23-11-9-22(10-12-23)30-14-16-35-17-15-30/h3-13,18-19H,14-17H2,1-2H3/b24-18-
InChIKey
TYFKADFFAIIPNJ-MOHJPFBDSA-N
Compound name
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.20016 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.20744 217.0
[M+Na]+ 492.18938 233.0
[M+NH4]+ 487.23398 222.6
[M+K]+ 508.16332 226.2
[M-H]- 468.19288 226.1
[M+Na-2H]- 490.17483 226.2
[M]+ 469.19961 221.9
[M]- 469.20071 221.9
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.