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

0
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 167.2
[M+Na]+ 309.04818 174.6
[M-H]- 285.05168 165.8
[M+NH4]+ 304.09278 181.1
[M+K]+ 325.02212 173.2
[M+H-H2O]+ 269.05622 157.1
[M+HCOO]- 331.05716 175.1
[M+CH3COO]- 345.07281 176.1
[M+Na-2H]- 307.03363 173.0
[M]+ 286.05841 178.2
[M]- 286.05951 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

No patent data available for this compound.