CID 3056563

73806-16-3

Structural Information

Molecular Formula
C17H18N2O6
SMILES
C1CC2C3C(C1O2)C(=O)N(C3=O)CN4C(=O)C5C6CCC(C5C4=O)O6
InChI
InChI=1S/C17H18N2O6/c20-14-10-6-1-2-7(24-6)11(10)15(21)18(14)5-19-16(22)12-8-3-4-9(25-8)13(12)17(19)23/h6-13H,1-5H2
InChIKey
UHCCEUKHMDEUMG-UHFFFAOYSA-N
Compound name
2-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1165 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 175.1
[M+Na]+ 369.10572 179.6
[M+NH4]+ 364.15032 182.0
[M+K]+ 385.07966 188.9
[M-H]- 345.10922 175.6
[M+Na-2H]- 367.09117 166.7
[M]+ 346.11595 175.4
[M]- 346.11705 175.4
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.