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

31
Patents

286.05896 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 160.7
[M+Na]+ 309.04818 170.3
[M-H]- 285.05168 164.9
[M+NH4]+ 304.09278 175.8
[M+K]+ 325.02212 165.5
[M+H-H2O]+ 269.05622 153.4
[M+HCOO]- 331.05716 177.4
[M+CH3COO]- 345.07281 198.2
[M+Na-2H]- 307.03363 160.9
[M]+ 286.05841 158.9
[M]- 286.05951 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