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 206.0
[M+Na]+ 473.16830 210.0
[M-H]- 449.17180 213.4
[M+NH4]+ 468.21290 213.3
[M+K]+ 489.14224 203.9
[M+H-H2O]+ 433.17634 196.1
[M+HCOO]- 495.17728 221.0
[M+CH3COO]- 509.19293 225.8
[M+Na-2H]- 471.15375 199.2
[M]+ 450.17853 204.9
[M]- 450.17963 204.9
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.