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]+ 395.12378 189.2
[M+Na]+ 417.10572 195.2
[M-H]- 393.10922 197.4
[M+NH4]+ 412.15032 198.9
[M+K]+ 433.07966 189.8
[M+H-H2O]+ 377.11376 180.1
[M+HCOO]- 439.11470 205.7
[M+CH3COO]- 453.13035 214.3
[M+Na-2H]- 415.09117 184.4
[M]+ 394.11595 186.9
[M]- 394.11705 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.