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 176.8
[M+Na]+ 369.10572 184.6
[M-H]- 345.10922 184.7
[M+NH4]+ 364.15032 199.4
[M+K]+ 385.07966 184.1
[M+H-H2O]+ 329.11376 179.7
[M+HCOO]- 391.11470 188.7
[M+CH3COO]- 405.13035 187.8
[M+Na-2H]- 367.09117 168.0
[M]+ 346.11595 180.9
[M]- 346.11705 180.9
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

No patent data available for this compound.