CID 71765029

1447701-63-4

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C=O
InChI
InChI=1S/C14H10N2O5/c17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h1-2,5-6,10H,3-4H2,(H,15,18,19)
InChIKey
MTNZUEXCABRZFM-UHFFFAOYSA-N
Compound name
2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

286.05896 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.066236 160.7
[M+Na]+ 309.048178 170.3
[M-H]- 285.051684 164.9
[M+NH4]+ 304.092783 175.8
[M+K]+ 325.022118 165.5
[M+H-H2O]+ 269.056220 153.4
[M+HCOO]- 331.057161 177.4
[M+CH3COO]- 345.072811 198.2
[M+Na-2H]- 307.033626 160.9
[M]+ 286.05841142 158.9
[M]- 286.05950858 158.9
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