CID 5277442

(3e)-3-(3-nitrobenzylidene)-5-(4-phenoxyphenyl)-2(3h)-furanone

Structural Information

Molecular Formula
C23H15NO5
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)O3
InChI
InChI=1S/C23H15NO5/c25-23-18(13-16-5-4-6-19(14-16)24(26)27)15-22(29-23)17-9-11-21(12-10-17)28-20-7-2-1-3-8-20/h1-15H/b18-13+
InChIKey
KYVCMIHQVMMDFV-QGOAFFKASA-N
Compound name
(3E)-3-[(3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.09503 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10231 192.4
[M+Na]+ 408.08425 197.9
[M-H]- 384.08775 205.9
[M+NH4]+ 403.12885 202.2
[M+K]+ 424.05819 189.6
[M+H-H2O]+ 368.09229 186.7
[M+HCOO]- 430.09323 216.0
[M+CH3COO]- 444.10888 211.6
[M+Na-2H]- 406.06970 195.7
[M]+ 385.09448 191.8
[M]- 385.09558 191.8
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.