CID 348062

2-{[(4-ethoxyphenyl)amino]methyl}-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C17H16N2O3
SMILES
CCOC1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H16N2O3/c1-2-22-13-9-7-12(8-10-13)18-11-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,18H,2,11H2,1H3
InChIKey
UFTIHDWDIDPBGV-UHFFFAOYSA-N
Compound name
2-[(4-ethoxyanilino)methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 166.7
[M+Na]+ 319.10532 175.3
[M-H]- 295.10882 173.4
[M+NH4]+ 314.14992 183.3
[M+K]+ 335.07926 170.7
[M+H-H2O]+ 279.11336 158.4
[M+HCOO]- 341.11430 189.9
[M+CH3COO]- 355.12995 205.7
[M+Na-2H]- 317.09077 170.4
[M]+ 296.11555 169.2
[M]- 296.11665 169.2
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

No patent data available for this compound.