CID 5768126

487022-17-3

Structural Information

Molecular Formula
C27H26N2O5
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCOC)C4=CC=NC=C4)/O
InChI
InChI=1S/C27H26N2O5/c1-18-16-21(34-17-19-6-4-3-5-7-19)8-9-22(18)25(30)23-24(20-10-12-28-13-11-20)29(14-15-33-2)27(32)26(23)31/h3-13,16,24,30H,14-15,17H2,1-2H3/b25-23+
InChIKey
SUHBSUXGBLCMIV-WJTDDFOZSA-N
Compound name
(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-methoxyethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.18417 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19145 213.5
[M+Na]+ 481.17339 227.2
[M+NH4]+ 476.21799 218.0
[M+K]+ 497.14733 221.7
[M-H]- 457.17689 218.4
[M+Na-2H]- 479.15884 220.5
[M]+ 458.18362 216.7
[M]- 458.18472 216.7
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.