CID 519663

19437-20-8

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC(C(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKey
CKLKGWHINGNHOK-UHFFFAOYSA-N
Compound name
2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

43
Patents

279.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.8
[M+Na]+ 302.07876 176.0
[M+NH4]+ 297.12336 170.3
[M+K]+ 318.05270 171.4
[M-H]- 278.08226 165.6
[M+Na-2H]- 300.06421 168.9
[M]+ 279.08899 165.3
[M]- 279.09009 165.3
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