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]+ 281.12848 164.0
[M+Na]+ 303.11042 171.9
[M-H]- 279.11392 171.8
[M+NH4]+ 298.15502 181.6
[M+K]+ 319.08436 168.1
[M+H-H2O]+ 263.11846 155.5
[M+HCOO]- 325.11940 187.5
[M+CH3COO]- 339.13505 205.6
[M+Na-2H]- 301.09587 167.5
[M]+ 280.12065 165.8
[M]- 280.12175 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.