CID 213686

Brn 0448961

Structural Information

Molecular Formula
C17H13N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(NC2=C(C3=C(C=CC=N3)C=C2)O)O
InChI
InChI=1S/C17H13N3O5/c21-15(11-3-1-5-12(9-11)20(24)25)17(23)19-13-7-6-10-4-2-8-18-14(10)16(13)22/h1-9,17,19,22-23H
InChIKey
GJOHBVXGLOXPBC-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]-1-(3-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 170.9
[M+Na]+ 362.07472 175.3
[M-H]- 338.07822 174.6
[M+NH4]+ 357.11932 180.5
[M+K]+ 378.04866 167.3
[M+H-H2O]+ 322.08276 166.3
[M+HCOO]- 384.08370 190.2
[M+CH3COO]- 398.09935 203.4
[M+Na-2H]- 360.06017 178.0
[M]+ 339.08495 167.9
[M]- 339.08605 167.9
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.