CID 461665

467421-06-3

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O3/c18-15(20)10-14(11-6-2-1-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14H,10H2,(H2,18,20)
InChIKey
ZJZWDDCSXLSDJG-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

294.10043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.7
[M+Na]+ 317.08965 174.0
[M-H]- 293.09315 172.8
[M+NH4]+ 312.13425 182.6
[M+K]+ 333.06359 169.7
[M+H-H2O]+ 277.09769 158.7
[M+HCOO]- 339.09863 187.4
[M+CH3COO]- 353.11428 205.0
[M+Na-2H]- 315.07510 167.8
[M]+ 294.09988 165.9
[M]- 294.10098 165.9
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.