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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 165.1
[M+Na]+ 318.14645 169.2
[M-H]- 294.14995 163.4
[M+NH4]+ 313.19105 188.4
[M+K]+ 334.12039 163.2
[M+H-H2O]+ 278.15449 156.1
[M+HCOO]- 340.15543 169.7
[M+CH3COO]- 354.17108 173.0
[M+Na-2H]- 316.13190 170.9
[M]+ 295.15668 165.2
[M]- 295.15778 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.