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

literature stripe

Patent stripe

patents stripe