CID 5277453

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

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C/C(=C\C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)N3
InChI
InChI=1S/C23H16N2O4/c26-23-18(13-16-5-4-6-19(14-16)25(27)28)15-22(24-23)17-9-11-21(12-10-17)29-20-7-2-1-3-8-20/h1-15H,(H,24,26)/b18-13+
InChIKey
KXBQFJDKJVQCON-QGOAFFKASA-N
Compound name
(3E)-3-[(3-nitrophenyl)methylidene]-5-(4-phenoxyphenyl)-1H-pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.111 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11828 191.6
[M+Na]+ 407.10022 196.4
[M-H]- 383.10372 201.8
[M+NH4]+ 402.14482 200.6
[M+K]+ 423.07416 185.4
[M+H-H2O]+ 367.10826 185.2
[M+HCOO]- 429.10920 213.2
[M+CH3COO]- 443.12485 209.3
[M+Na-2H]- 405.08567 194.1
[M]+ 384.11045 187.6
[M]- 384.11155 187.6
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.