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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.143776	163.3
[M+Na]+	320.125718	167.3
[M-H]-	296.129224	160.5
[M+NH4]+	315.170323	185.9
[M+K]+	336.099658	161.7
[M+H-H2O]+	280.133760	155.1
[M+HCOO]-	342.134701	166.9
[M+CH3COO]-	356.150351	171.0
[M+Na-2H]-	318.111166	169.8
[M]+	297.13595142	163.2
[M]-	297.13704858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.