CID 5332496

2-[(4-ethoxybenzylidene)amino]-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CCOC1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O3/c1-2-22-13-9-7-12(8-10-13)11-18-19-16(20)14-5-3-4-6-15(14)17(19)21/h3-11H,2H2,1H3/b18-11+
InChIKey
YWFALNDSTQGAOF-WOJGMQOQSA-N
Compound name
2-[(E)-(4-ethoxyphenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.7
[M+Na]+ 317.08965 175.1
[M-H]- 293.09315 173.9
[M+NH4]+ 312.13425 183.1
[M+K]+ 333.06359 170.8
[M+H-H2O]+ 277.09769 157.3
[M+HCOO]- 339.09863 190.6
[M+CH3COO]- 353.11428 206.7
[M+Na-2H]- 315.07510 169.8
[M]+ 294.09988 169.2
[M]- 294.10098 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.