CID 3071137

Brn 5663686

Structural Information

Molecular Formula
C26H28N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCCCCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C26H28N2O6/c29-23-15-21(25(31)27-23)17-5-9-19(10-6-17)33-13-3-1-2-4-14-34-20-11-7-18(8-12-20)22-16-24(30)28-26(22)32/h5-12,21-22H,1-4,13-16H2,(H,27,29,31)(H,28,30,32)
InChIKey
CUOGGHGQUZPYMN-UHFFFAOYSA-N
Compound name
3-[4-[6-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]hexoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.19473 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.20201 214.7
[M+Na]+ 487.18395 224.0
[M+NH4]+ 482.22855 217.9
[M+K]+ 503.15789 221.7
[M-H]- 463.18745 217.3
[M+Na-2H]- 485.16940 217.7
[M]+ 464.19418 216.2
[M]- 464.19528 216.2
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.