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 164.2
[M+Na]+ 302.11514 175.4
[M-H]- 278.11864 171.7
[M+NH4]+ 297.15974 182.7
[M+K]+ 318.08908 170.0
[M+H-H2O]+ 262.12318 157.0
[M+HCOO]- 324.12412 185.8
[M+CH3COO]- 338.13977 204.0
[M+Na-2H]- 300.10059 165.3
[M]+ 279.12537 167.2
[M]- 279.12647 167.2
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