CID 989237

Ethyl 2-(3-(1,3-dioxoisoindolin-2-yl)propanamido)benzoate

Structural Information

Molecular Formula
C20H18N2O5
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H18N2O5/c1-2-27-20(26)15-9-5-6-10-16(15)21-17(23)11-12-22-18(24)13-7-3-4-8-14(13)19(22)25/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKey
AHOFADQSCCHIRX-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 185.3
[M+Na]+ 389.11080 195.9
[M+NH4]+ 384.15540 190.2
[M+K]+ 405.08474 192.3
[M-H]- 365.11430 186.9
[M+Na-2H]- 387.09625 189.1
[M]+ 366.12103 186.8
[M]- 366.12213 186.8
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

No patent data available for this compound.