CID 165460076

2770359-69-6

Structural Information

Molecular Formula
C15H12N2O6
SMILES
CC1(CCC(=O)NC1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)
InChIKey
VWVJRXADTDRXRW-UHFFFAOYSA-N
Compound name
2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06955 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07683 169.8
[M+Na]+ 339.05877 179.3
[M+NH4]+ 334.10337 175.0
[M+K]+ 355.03271 176.4
[M-H]- 315.06227 168.4
[M+Na-2H]- 337.04422 171.8
[M]+ 316.06900 170.3
[M]- 316.07010 170.3
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.