CID 2249224

6437-67-8

Structural Information

Molecular Formula
C18H12N2O6
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)OCCON3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
InChIKey
CDKMESCTNMNHID-UHFFFAOYSA-N
Compound name
2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

352.06955 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07683 179.6
[M+Na]+ 375.05877 191.6
[M+NH4]+ 370.10337 185.2
[M+K]+ 391.03271 189.8
[M-H]- 351.06227 180.5
[M+Na-2H]- 373.04422 182.1
[M]+ 352.06900 181.2
[M]- 352.07010 181.2
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

patents stripe