CID 5277452

(3e)-3-[(4-chlorophenyl)methylene]-5-(4-phenoxyphenyl)-1h-pyrrol-2-one

Structural Information

Molecular Formula
C23H16ClNO2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC=C(C=C4)Cl)/C(=O)N3
InChI
InChI=1S/C23H16ClNO2/c24-19-10-6-16(7-11-19)14-18-15-22(25-23(18)26)17-8-12-21(13-9-17)27-20-4-2-1-3-5-20/h1-15H,(H,25,26)/b18-14+
InChIKey
JLQHGSHIJXHYBE-NBVRZTHBSA-N
Compound name
(3E)-3-[(4-chlorophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.08694 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09422 189.8
[M+Na]+ 396.07616 198.4
[M-H]- 372.07966 199.9
[M+NH4]+ 391.12076 201.8
[M+K]+ 412.05010 189.1
[M+H-H2O]+ 356.08420 179.9
[M+HCOO]- 418.08514 206.2
[M+CH3COO]- 432.10079 199.8
[M+Na-2H]- 394.06161 189.7
[M]+ 373.08639 189.9
[M]- 373.08749 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.