CID 5388851

2-((4-nitrobenzylidene)amino)isoindoline-1,3-dione

Structural Information

Molecular Formula
C15H9N3O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H9N3O4/c19-14-12-3-1-2-4-13(12)15(20)17(14)16-9-10-5-7-11(8-6-10)18(21)22/h1-9H/b16-9+
InChIKey
WULBEMGMONTWBY-CXUHLZMHSA-N
Compound name
2-[(E)-(4-nitrophenyl)methylideneamino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06658 163.2
[M+Na]+ 318.04852 171.2
[M-H]- 294.05202 171.5
[M+NH4]+ 313.09312 179.2
[M+K]+ 334.02246 163.3
[M+H-H2O]+ 278.05656 159.3
[M+HCOO]- 340.05750 189.3
[M+CH3COO]- 354.07315 199.8
[M+Na-2H]- 316.03397 170.2
[M]+ 295.05875 163.0
[M]- 295.05985 163.0
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.