CID 73324

2,6-dimethylphenylphthalimide

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
InChIKey
KDCNGAZTEPFIKL-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

71
Patents

251.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 155.2
[M+Na]+ 274.083858 166.4
[M-H]- 250.087364 162.7
[M+NH4]+ 269.128463 174.6
[M+K]+ 290.057798 161.5
[M+H-H2O]+ 234.091900 148.1
[M+HCOO]- 296.092841 177.6
[M+CH3COO]- 310.108491 168.9
[M+Na-2H]- 272.069306 158.1
[M]+ 251.09409142 157.1
[M]- 251.09518858 157.1
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

patents stripe