CID 6448399

Brn 4601384

Structural Information

Molecular Formula
C27H24ClN3O3
SMILES
COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C27H24ClN3O3/c1-33-24-12-2-19(3-13-24)18-25-27(32)31(26(29-25)20-4-6-21(28)7-5-20)23-10-8-22(9-11-23)30-14-16-34-17-15-30/h2-13,18H,14-17H2,1H3/b25-18-
InChIKey
COCHNKGLTKDDCH-BWAHOGKJSA-N
Compound name
(5Z)-2-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-3-(4-morpholin-4-ylphenyl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1506 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.15788 216.3
[M+Na]+ 496.13982 234.0
[M+NH4]+ 491.18442 223.0
[M+K]+ 512.11376 225.8
[M-H]- 472.14332 226.0
[M+Na-2H]- 494.12527 226.2
[M]+ 473.15005 222.0
[M]- 473.15115 222.0
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.