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]+ 405.165636 192.8
[M+Na]+ 427.147578 197.4
[M-H]- 403.151084 195.4
[M+NH4]+ 422.192183 204.5
[M+K]+ 443.121518 196.2
[M+H-H2O]+ 387.155620 185.8
[M+HCOO]- 449.156561 210.2
[M+CH3COO]- 463.172211 225.0
[M+Na-2H]- 425.133026 192.4
[M]+ 404.15781142 199.6
[M]- 404.15890858 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.