CID 5926259

497076-18-3

Structural Information

Molecular Formula
C29H29NO6
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCOC)C4=CC=C(C=C4)O)/O
InChI
InChI=1S/C29H29NO6/c1-19-17-23(36-18-20-7-4-3-5-8-20)13-14-24(19)27(32)25-26(21-9-11-22(31)12-10-21)30(15-6-16-35-2)29(34)28(25)33/h3-5,7-14,17,26,31-32H,6,15-16,18H2,1-2H3/b27-25+
InChIKey
OZVLKHDFWKOPGR-IMVLJIQESA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1995 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.20678 218.7
[M+Na]+ 510.18872 223.5
[M-H]- 486.19222 227.5
[M+NH4]+ 505.23332 224.3
[M+K]+ 526.16266 217.7
[M+H-H2O]+ 470.19676 207.9
[M+HCOO]- 532.19770 234.3
[M+CH3COO]- 546.21335 236.4
[M+Na-2H]- 508.17417 212.5
[M]+ 487.19895 220.6
[M]- 487.20005 220.6
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.