CID 477699

N-(1-adamantyl)-4-aminophthalimide

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)N
InChI
InChI=1S/C18H20N2O2/c19-13-1-2-14-15(6-13)17(22)20(16(14)21)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9,19H2
InChIKey
CMEROZDRJVJHKQ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-aminoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.15247 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 162.7
[M+Na]+ 319.14169 166.6
[M-H]- 295.14519 160.6
[M+NH4]+ 314.18629 185.5
[M+K]+ 335.11563 160.9
[M+H-H2O]+ 279.14973 154.2
[M+HCOO]- 341.15067 168.0
[M+CH3COO]- 355.16632 170.5
[M+Na-2H]- 317.12714 169.3
[M]+ 296.15192 161.4
[M]- 296.15302 161.4
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.