CID 477694

4-methoxy-n-(2,6-dimethylphenyl)phthalimide

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)OC
InChI
InChI=1S/C17H15NO3/c1-10-5-4-6-11(2)15(10)18-16(19)13-8-7-12(21-3)9-14(13)17(18)20/h4-9H,1-3H3
InChIKey
UMOBPYMHEAPURA-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-5-methoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 162.7
[M+Na]+ 304.09442 174.1
[M-H]- 280.09792 170.4
[M+NH4]+ 299.13902 181.0
[M+K]+ 320.06836 169.7
[M+H-H2O]+ 264.10246 155.5
[M+HCOO]- 326.10340 184.8
[M+CH3COO]- 340.11905 203.2
[M+Na-2H]- 302.07987 164.5
[M]+ 281.10465 166.8
[M]- 281.10575 166.8
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.