CID 52915756

Chembl1760505

Structural Information

Molecular Formula
C18H13N3O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O3/c22-18(16-8-7-14-3-1-2-4-15(14)11-16)20-19-12-13-5-9-17(10-6-13)21(23)24/h1-12H,(H,20,22)/b19-12+
InChIKey
RUQCGNRXDVIDAJ-XDHOZWIPSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

319.0957 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10298 171.1
[M+Na]+ 342.08492 185.6
[M+NH4]+ 337.12952 179.2
[M+K]+ 358.05886 179.9
[M-H]- 318.08842 178.6
[M+Na-2H]- 340.07037 180.5
[M]+ 319.09515 175.1
[M]- 319.09625 175.1
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.