CID 165948027

2-{2,4-dioxo-3-azabicyclo[3.1.1]heptan-1-yl}-5-hydroxy-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1C2CC1(C(=O)NC2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)O
InChI
InChI=1S/C14H10N2O5/c17-7-1-2-8-9(3-7)12(20)16(11(8)19)14-4-6(5-14)10(18)15-13(14)21/h1-3,6,17H,4-5H2,(H,15,18,21)
InChIKey
DRADRVYRCSNHGU-UHFFFAOYSA-N
Compound name
2-(2,4-dioxo-3-azabicyclo[3.1.1]heptan-1-yl)-5-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 167.2
[M+Na]+ 309.048178 174.6
[M-H]- 285.051684 165.8
[M+NH4]+ 304.092783 181.1
[M+K]+ 325.022118 173.2
[M+H-H2O]+ 269.056220 157.1
[M+HCOO]- 331.057161 175.1
[M+CH3COO]- 345.072811 176.1
[M+Na-2H]- 307.033626 173.0
[M]+ 286.05841142 178.2
[M]- 286.05950858 178.2
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