CID 5277449

(3e)-3-benzylidene-5-(4-phenoxyphenyl)-1h-pyrrol-2-one

Structural Information

Molecular Formula
C23H17NO2
SMILES
C1=CC=C(C=C1)/C=C/2\C=C(NC2=O)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C23H17NO2/c25-23-19(15-17-7-3-1-4-8-17)16-22(24-23)18-11-13-21(14-12-18)26-20-9-5-2-6-10-20/h1-16H,(H,24,25)/b19-15+
InChIKey
ZXHRXMLGMSVVFN-XDJHFCHBSA-N
Compound name
(3E)-3-benzylidene-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.12592 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13320 181.4
[M+Na]+ 362.11514 188.2
[M-H]- 338.11864 191.4
[M+NH4]+ 357.15974 193.5
[M+K]+ 378.08908 180.4
[M+H-H2O]+ 322.12318 171.1
[M+HCOO]- 384.12412 202.4
[M+CH3COO]- 398.13977 191.6
[M+Na-2H]- 360.10059 182.7
[M]+ 339.12537 178.6
[M]- 339.12647 178.6
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.