CID 156735768

2642231-76-1

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)C=O
InChI
InChI=1S/C14H12N2O4/c17-7-8-2-1-3-9-10(8)6-16(14(9)20)11-4-5-12(18)15-13(11)19/h1-3,7,11H,4-6H2,(H,15,18,19)
InChIKey
WCPNGVGMEFNTRW-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.0797 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 161.5
[M+Na]+ 295.06892 172.7
[M+NH4]+ 290.11352 167.4
[M+K]+ 311.04286 169.2
[M-H]- 271.07242 162.1
[M+Na-2H]- 293.05437 164.1
[M]+ 272.07915 162.8
[M]- 272.08025 162.8
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

patents stripe