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]+ 280.133196 164.2
[M+Na]+ 302.115138 175.4
[M-H]- 278.118644 171.7
[M+NH4]+ 297.159743 182.7
[M+K]+ 318.089078 170.0
[M+H-H2O]+ 262.123180 157.0
[M+HCOO]- 324.124121 185.8
[M+CH3COO]- 338.139771 204.0
[M+Na-2H]- 300.100586 165.3
[M]+ 279.12537142 167.2
[M]- 279.12646858 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