CID 92193

N-phthaloyl-dl-glutamic anhydride

Structural Information

Molecular Formula
C13H9NO5
SMILES
C1CC(=O)OC(=O)C1N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2
InChIKey
ICDLEMPZXFCQEB-UHFFFAOYSA-N
Compound name
2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

366
Patents

259.04807 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05535 154.2
[M+Na]+ 282.03729 166.3
[M+NH4]+ 277.08189 160.8
[M+K]+ 298.01123 163.4
[M-H]- 258.04079 157.0
[M+Na-2H]- 280.02274 157.3
[M]+ 259.04752 156.4
[M]- 259.04862 156.4
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