CID 16429508

4-[4-(benzyloxy)-2-methylbenzoyl]-3-hydroxy-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C28H27NO6
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C/3\C(N(C(=O)C3=O)CCOC)C4=CC=C(C=C4)O)/O
InChI
InChI=1S/C28H27NO6/c1-18-16-22(35-17-19-6-4-3-5-7-19)12-13-23(18)26(31)24-25(20-8-10-21(30)11-9-20)29(14-15-34-2)28(33)27(24)32/h3-13,16,25,30-31H,14-15,17H2,1-2H3/b26-24-
InChIKey
BMVDIESKRYXDSY-LCUIJRPUSA-N
Compound name
(4Z)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.18384 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.19112 214.4
[M+Na]+ 496.17306 219.7
[M-H]- 472.17656 223.5
[M+NH4]+ 491.21766 220.6
[M+K]+ 512.14700 214.0
[M+H-H2O]+ 456.18110 203.8
[M+HCOO]- 518.18204 230.4
[M+CH3COO]- 532.19769 233.6
[M+Na-2H]- 494.15851 208.7
[M]+ 473.18329 216.0
[M]- 473.18439 216.0
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.