CID 213262

Brn 0448923

Structural Information

Molecular Formula
C17H13N3O5
SMILES
C1=CC2=C(C(=C(C=C2)NC(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)O)N=C1
InChI
InChI=1S/C17H13N3O5/c21-15(11-3-6-12(7-4-11)20(24)25)17(23)19-13-8-5-10-2-1-9-18-14(10)16(13)22/h1-9,17,19,22-23H
InChIKey
NFQDUEXUKGEWCW-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0855 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09278 172.8
[M+Na]+ 362.07472 185.8
[M+NH4]+ 357.11932 178.6
[M+K]+ 378.04866 183.5
[M-H]- 338.07822 176.9
[M+Na-2H]- 360.06017 179.3
[M]+ 339.08495 175.4
[M]- 339.08605 175.4
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.