CID 3453538

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

Structural Information

Molecular Formula
C26H23NO5
SMILES
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OCC=C)O)C(=O)C(=O)N2CC4=CC=CO4
InChI
InChI=1S/C26H23NO5/c1-3-14-31-20-12-10-19(11-13-20)24(28)22-23(18-8-6-17(2)7-9-18)27(26(30)25(22)29)16-21-5-4-15-32-21/h3-13,15,23,28H,1,14,16H2,2H3
InChIKey
JGSDYUOVWACVOP-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.15762 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.16490 203.4
[M+Na]+ 452.14684 210.0
[M-H]- 428.15034 215.0
[M+NH4]+ 447.19144 212.8
[M+K]+ 468.12078 204.9
[M+H-H2O]+ 412.15488 194.8
[M+HCOO]- 474.15582 221.8
[M+CH3COO]- 488.17147 225.7
[M+Na-2H]- 450.13229 197.5
[M]+ 429.15707 205.4
[M]- 429.15817 205.4
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.