CID 3071133

87367-86-0

Structural Information

Molecular Formula
C21H18N2O6
SMILES
C1C(C(=O)NC1=O)C2=CC=C(C=C2)OCOC3=CC=C(C=C3)C4CC(=O)NC4=O
InChI
InChI=1S/C21H18N2O6/c24-18-9-16(20(26)22-18)12-1-5-14(6-2-12)28-11-29-15-7-3-13(4-8-15)17-10-19(25)23-21(17)27/h1-8,16-17H,9-11H2,(H,22,24,26)(H,23,25,27)
InChIKey
ASFQATAUKWCPMA-UHFFFAOYSA-N
Compound name
3-[4-[[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]methoxy]phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1165 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.123776 189.2
[M+Na]+ 417.105718 195.2
[M-H]- 393.109224 197.4
[M+NH4]+ 412.150323 198.9
[M+K]+ 433.079658 189.8
[M+H-H2O]+ 377.113760 180.1
[M+HCOO]- 439.114701 205.7
[M+CH3COO]- 453.130351 214.3
[M+Na-2H]- 415.091166 184.4
[M]+ 394.11595142 186.9
[M]- 394.11704858 186.9
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.