CID 4623809

83544-57-4

Structural Information

Molecular Formula
C20H24N2O7
SMILES
CCOC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C20H24N2O7/c1-4-28-18(26)20(21-13(3)23,19(27)29-5-2)11-8-12-22-16(24)14-9-6-7-10-15(14)17(22)25/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,21,23)
InChIKey
GJDFIDBSNRVSFL-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-[3-(1,3-dioxoisoindol-2-yl)propyl]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.15836 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16564 191.9
[M+Na]+ 427.14758 197.4
[M+NH4]+ 422.19218 193.7
[M+K]+ 443.12152 197.5
[M-H]- 403.15108 188.3
[M+Na-2H]- 425.13303 190.7
[M]+ 404.15781 190.8
[M]- 404.15891 190.8
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.