CID 113764

26866-74-0

Structural Information

Molecular Formula
C17H12ClN3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(NC2=CC(=C3C=CC=NC3=C2O)Cl)O
InChI
InChI=1S/C17H12ClN3O5/c18-12-8-13(16(23)14-11(12)5-2-6-19-14)20-17(24)15(22)9-3-1-4-10(7-9)21(25)26/h1-8,17,20,23-24H
InChIKey
DDDNPHDSIBPCOO-UHFFFAOYSA-N
Compound name
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-2-hydroxy-1-(3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.04654 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.05382 177.6
[M+Na]+ 396.03576 183.3
[M-H]- 372.03926 181.3
[M+NH4]+ 391.08036 187.0
[M+K]+ 412.00970 174.3
[M+H-H2O]+ 356.04380 174.3
[M+HCOO]- 418.04474 192.4
[M+CH3COO]- 432.06039 208.3
[M+Na-2H]- 394.02121 183.5
[M]+ 373.04599 177.6
[M]- 373.04709 177.6
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