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]+ 409.13942 193.4
[M+Na]+ 431.12136 198.9
[M-H]- 407.12486 201.4
[M+NH4]+ 426.16596 202.6
[M+K]+ 447.09530 193.4
[M+H-H2O]+ 391.12940 184.1
[M+HCOO]- 453.13034 209.5
[M+CH3COO]- 467.14599 217.2
[M+Na-2H]- 429.10681 188.1
[M]+ 408.13159 191.4
[M]- 408.13269 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.