CID 477700

N-(1-adamantyl)-4-hydroxyphthalimide

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(=O)C5=C(C4=O)C=C(C=C5)O
InChI
InChI=1S/C18H19NO3/c20-13-1-2-14-15(6-13)17(22)19(16(14)21)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12,20H,3-5,7-9H2
InChIKey
YWQIJOSQJCLSSA-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-hydroxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 163.3
[M+Na]+ 320.12572 167.3
[M-H]- 296.12922 160.5
[M+NH4]+ 315.17032 185.9
[M+K]+ 336.09966 161.7
[M+H-H2O]+ 280.13376 155.1
[M+HCOO]- 342.13470 166.9
[M+CH3COO]- 356.15035 171.0
[M+Na-2H]- 318.11117 169.8
[M]+ 297.13595 163.2
[M]- 297.13705 163.2
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.