CID 6448403

Brn 4608853

Structural Information

Molecular Formula
C28H26ClN3O4
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N5CCOCC5)OC
InChI
InChI=1S/C28H26ClN3O4/c1-34-25-12-3-19(18-26(25)35-2)17-24-28(33)32(27(30-24)20-4-6-21(29)7-5-20)23-10-8-22(9-11-23)31-13-15-36-16-14-31/h3-12,17-18H,13-16H2,1-2H3/b24-17-
InChIKey
FLLKLLJBHZNRCH-ULJHMMPZSA-N
Compound name
(5Z)-2-(4-chlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.1612 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.16848 225.3
[M+Na]+ 526.15042 232.1
[M-H]- 502.15392 237.0
[M+NH4]+ 521.19502 227.9
[M+K]+ 542.12436 225.3
[M+H-H2O]+ 486.15846 211.2
[M+HCOO]- 548.15940 234.4
[M+CH3COO]- 562.17505 231.8
[M+Na-2H]- 524.13587 220.1
[M]+ 503.16065 227.0
[M]- 503.16175 227.0
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.