CID 117896

Brn 0435445

Structural Information

Molecular Formula
C17H11N3O4
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)N=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H11N3O4/c21-15-8-7-14(13-2-1-9-18-17(13)15)19-10-16(22)11-3-5-12(6-4-11)20(23)24/h1-10,21H
InChIKey
GHNUAEKYDHZZGW-UHFFFAOYSA-N
Compound name
2-(8-hydroxyquinolin-5-yl)imino-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.07495 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08223 169.6
[M+Na]+ 344.06417 175.8
[M-H]- 320.06767 176.0
[M+NH4]+ 339.10877 181.5
[M+K]+ 360.03811 167.5
[M+H-H2O]+ 304.07221 164.5
[M+HCOO]- 366.07315 192.9
[M+CH3COO]- 380.08880 203.7
[M+Na-2H]- 342.04962 178.1
[M]+ 321.07440 168.6
[M]- 321.07550 168.6
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

patents stripe