CID 732239

2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CN(CC1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16N2O2/c1-18(11-13-7-3-2-4-8-13)12-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10H,11-12H2,1H3
InChIKey
QDTLCDRPBBCDMJ-UHFFFAOYSA-N
Compound name
2-[[benzyl(methyl)amino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.0
[M+Na]+ 303.110418 171.9
[M-H]- 279.113924 171.8
[M+NH4]+ 298.155023 181.6
[M+K]+ 319.084358 168.1
[M+H-H2O]+ 263.118460 155.5
[M+HCOO]- 325.119401 187.5
[M+CH3COO]- 339.135051 205.6
[M+Na-2H]- 301.095866 167.5
[M]+ 280.12065142 165.8
[M]- 280.12174858 165.8
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

No patent data available for this compound.