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 210.1
[M+Na]+ 487.18395 213.7
[M-H]- 463.18745 217.3
[M+NH4]+ 482.22855 216.9
[M+K]+ 503.15789 207.4
[M+H-H2O]+ 447.19199 200.0
[M+HCOO]- 509.19293 224.8
[M+CH3COO]- 523.20858 228.7
[M+Na-2H]- 485.16940 202.9
[M]+ 464.19418 209.3
[M]- 464.19528 209.3
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.