CID 5737414

618074-52-5

Structural Information

Molecular Formula
C22H16ClNO5
SMILES
C1=CC(=CC(=C1)O)C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)N2CC4=CC=CO4
InChI
InChI=1S/C22H16ClNO5/c23-15-8-6-13(7-9-15)20(26)18-19(14-3-1-4-16(25)11-14)24(22(28)21(18)27)12-17-5-2-10-29-17/h1-11,19,25-26H,12H2/b20-18+
InChIKey
RJJYYDACPDXHLY-CZIZESTLSA-N
Compound name
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0717 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07898 195.1
[M+Na]+ 432.06092 203.7
[M-H]- 408.06442 206.0
[M+NH4]+ 427.10552 205.8
[M+K]+ 448.03486 197.7
[M+H-H2O]+ 392.06896 187.8
[M+HCOO]- 454.06990 208.7
[M+CH3COO]- 468.08555 205.1
[M+Na-2H]- 430.04637 190.4
[M]+ 409.07115 197.3
[M]- 409.07225 197.3
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.