CID 3071134

Brn 5653181

Structural Information

Molecular Formula
C22H20N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C22H20N2O6/c25-19-11-17(21(27)23-19)13-1-5-15(6-2-13)29-9-10-30-16-7-3-14(4-8-16)18-12-20(26)24-22(18)28/h1-8,17-18H,9-12H2,(H,23,25,27)(H,24,26,28)
InChIKey
DTZNBROGJUJPGX-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]ethoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.13214 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.139416 193.4
[M+Na]+ 431.121358 198.9
[M-H]- 407.124864 201.4
[M+NH4]+ 426.165963 202.6
[M+K]+ 447.095298 193.4
[M+H-H2O]+ 391.129400 184.1
[M+HCOO]- 453.130341 209.5
[M+CH3COO]- 467.145991 217.2
[M+Na-2H]- 429.106806 188.1
[M]+ 408.13159142 191.4
[M]- 408.13268858 191.4
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.