CID 5277450

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

Structural Information

Molecular Formula
C23H17NO3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC=CC=C4O)/C(=O)N3
InChI
InChI=1S/C23H17NO3/c25-22-9-5-4-6-17(22)14-18-15-21(24-23(18)26)16-10-12-20(13-11-16)27-19-7-2-1-3-8-19/h1-15,25H,(H,24,26)/b18-14+
InChIKey
XRGXIGPDFCQZNW-NBVRZTHBSA-N
Compound name
(3E)-3-[(2-hydroxyphenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12813 184.5
[M+Na]+ 378.11007 191.6
[M-H]- 354.11357 193.7
[M+NH4]+ 373.15467 195.5
[M+K]+ 394.08401 183.7
[M+H-H2O]+ 338.11811 174.6
[M+HCOO]- 400.11905 204.2
[M+CH3COO]- 414.13470 194.2
[M+Na-2H]- 376.09552 184.9
[M]+ 355.12030 181.8
[M]- 355.12140 181.8
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.