CID 752023

2-(((2-methoxyphenyl)amino)methyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=CC=CC=C1NCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H14N2O3/c1-21-14-9-5-4-8-13(14)17-10-18-15(19)11-6-2-3-7-12(11)16(18)20/h2-9,17H,10H2,1H3
InChIKey
FADSQKAEFZVEOI-UHFFFAOYSA-N
Compound name
2-[(2-methoxyanilino)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.1
[M+Na]+ 305.08965 171.1
[M-H]- 281.09315 169.0
[M+NH4]+ 300.13425 179.3
[M+K]+ 321.06359 166.8
[M+H-H2O]+ 265.09769 154.0
[M+HCOO]- 327.09863 185.6
[M+CH3COO]- 341.11428 202.7
[M+Na-2H]- 303.07510 166.3
[M]+ 282.09988 164.2
[M]- 282.10098 164.2
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.