CID 245843

6629-44-3

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC(=C(C=C1)C)NCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16N2O2/c1-11-7-8-12(2)15(9-11)18-10-19-16(20)13-5-3-4-6-14(13)17(19)21/h3-9,18H,10H2,1-2H3
InChIKey
DOMDOBKAHVGLJL-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylanilino)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 164.0
[M+Na]+ 303.11042 173.8
[M-H]- 279.11392 171.2
[M+NH4]+ 298.15502 181.7
[M+K]+ 319.08436 168.6
[M+H-H2O]+ 263.11846 156.3
[M+HCOO]- 325.11940 187.0
[M+CH3COO]- 339.13505 204.8
[M+Na-2H]- 301.09587 166.9
[M]+ 280.12065 165.5
[M]- 280.12175 165.5
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

No patent data available for this compound.