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 184.3
[M+Na]+ 389.11080 191.0
[M-H]- 365.11430 190.7
[M+NH4]+ 384.15540 197.5
[M+K]+ 405.08474 187.3
[M+H-H2O]+ 349.11884 175.7
[M+HCOO]- 411.11978 205.0
[M+CH3COO]- 425.13543 218.1
[M+Na-2H]- 387.09625 184.5
[M]+ 366.12103 187.8
[M]- 366.12213 187.8
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.