CID 6448402

Brn 4611100

Structural Information

Molecular Formula
C29H29N3O5
SMILES
COC1=CC=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)OC)OC)/C(=O)N2C4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C29H29N3O5/c1-34-24-11-5-21(6-12-24)28-30-25(18-20-4-13-26(35-2)27(19-20)36-3)29(33)32(28)23-9-7-22(8-10-23)31-14-16-37-17-15-31/h4-13,18-19H,14-17H2,1-3H3/b25-18-
InChIKey
ZXEIEJHSYSOXSQ-BWAHOGKJSA-N
Compound name
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-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

499.21072 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.21800 224.4
[M+Na]+ 522.19994 240.1
[M+NH4]+ 517.24454 229.3
[M+K]+ 538.17388 233.9
[M-H]- 498.20344 233.2
[M+Na-2H]- 520.18539 232.7
[M]+ 499.21017 229.1
[M]- 499.21127 229.1
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.