CID 477701

N-(1-adamantyl)-4-methylphthalimide

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21NO2/c1-11-2-3-15-16(4-11)18(22)20(17(15)21)19-8-12-5-13(9-19)7-14(6-12)10-19/h2-4,12-14H,5-10H2,1H3

InChIKey

NYVASVQPRQIQRW-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-5-methylisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.15723 Da
Monoisotopic Mass: 3.9
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]+	296.164506	165.1
[M+Na]+	318.146448	169.2
[M-H]-	294.149954	163.4
[M+NH4]+	313.191053	188.4
[M+K]+	334.120388	163.2
[M+H-H2O]+	278.154490	156.1
[M+HCOO]-	340.155431	169.7
[M+CH3COO]-	354.171081	173.0
[M+Na-2H]-	316.131896	170.9
[M]+	295.15668142	165.2
[M]-	295.15777858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.