CID 6898976

32387-03-4

Structural Information

Molecular Formula
C16H12N2O3
SMILES
COC1=CC=CC(=C1)/C=N/N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12N2O3/c1-21-12-6-4-5-11(9-12)10-17-18-15(19)13-7-2-3-8-14(13)16(18)20/h2-10H,1H3/b17-10+
InChIKey
XQZAQDLKUMZXTG-LICLKQGHSA-N
Compound name
2-[(E)-(3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 161.1
[M+Na]+ 303.073998 171.0
[M-H]- 279.077504 169.5
[M+NH4]+ 298.118603 179.1
[M+K]+ 319.047938 166.9
[M+H-H2O]+ 263.082040 152.8
[M+HCOO]- 325.082981 186.3
[M+CH3COO]- 339.098631 203.7
[M+Na-2H]- 301.059446 165.7
[M]+ 280.08423142 164.3
[M]- 280.08532858 164.3
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.