CID 3071136

Brn 5662070

Structural Information

Molecular Formula
C25H26N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C25H26N2O6/c28-22-14-20(24(30)26-22)16-4-8-18(9-5-16)32-12-2-1-3-13-33-19-10-6-17(7-11-19)21-15-23(29)27-25(21)31/h4-11,20-21H,1-3,12-15H2,(H,26,28,30)(H,27,29,31)
InChIKey
AWTCEAFSXKGJBX-UHFFFAOYSA-N
Compound name
3-[4-[5-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]pentoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

450.17908 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18636 210.5
[M+Na]+ 473.16830 220.0
[M+NH4]+ 468.21290 213.8
[M+K]+ 489.14224 217.9
[M-H]- 449.17180 213.1
[M+Na-2H]- 471.15375 213.7
[M]+ 450.17853 212.0
[M]- 450.17963 212.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.