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 192.8
[M+Na]+ 427.14758 197.4
[M-H]- 403.15108 195.4
[M+NH4]+ 422.19218 204.5
[M+K]+ 443.12152 196.2
[M+H-H2O]+ 387.15562 185.8
[M+HCOO]- 449.15656 210.2
[M+CH3COO]- 463.17221 225.0
[M+Na-2H]- 425.13303 192.4
[M]+ 404.15781 199.6
[M]- 404.15891 199.6
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.