CID 261856

64489-90-3

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC(=C(C(=C1)C)CN2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H17NO2/c1-11-8-12(2)16(13(3)9-11)10-19-17(20)14-6-4-5-7-15(14)18(19)21/h4-9H,10H2,1-3H3
InChIKey
NBYNEQBMCUMTLI-UHFFFAOYSA-N
Compound name
2-[(2,4,6-trimethylphenyl)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

279.12592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.5
[M+Na]+ 302.11514 180.8
[M+NH4]+ 297.15974 174.0
[M+K]+ 318.08908 174.5
[M-H]- 278.11864 169.6
[M+Na-2H]- 300.10059 171.9
[M]+ 279.12537 168.9
[M]- 279.12647 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe