CID 3829459

5-(4-ethylphenyl)-1-[(furan-2-yl)methyl]-3-hydroxy-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H25NO5
SMILES
CCC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CC4=CC=CO4
InChI
InChI=1S/C27H25NO5/c1-3-15-32-21-13-11-20(12-14-21)25(29)23-24(19-9-7-18(4-2)8-10-19)28(27(31)26(23)30)17-22-6-5-16-33-22/h3,5-14,16,24,29H,1,4,15,17H2,2H3
InChIKey
ORCQOHKMEXGERZ-UHFFFAOYSA-N
Compound name
5-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.17328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.18056 207.8
[M+Na]+ 466.16250 214.0
[M-H]- 442.16600 219.2
[M+NH4]+ 461.20710 216.7
[M+K]+ 482.13644 208.7
[M+H-H2O]+ 426.17054 199.1
[M+HCOO]- 488.17148 225.9
[M+CH3COO]- 502.18713 228.6
[M+Na-2H]- 464.14795 201.4
[M]+ 443.17273 210.1
[M]- 443.17383 210.1
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.