CID 213690

Brn 0459303

Structural Information

Molecular Formula
C17H11Cl2N3O5
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)NC(C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O)Cl
InChI
InChI=1S/C17H11Cl2N3O5/c18-10-4-3-8(6-13(10)22(26)27)15(23)17(25)21-12-7-11(19)9-2-1-5-20-14(9)16(12)24/h1-7,17,21,24-25H
InChIKey
SVZGAGICXAJESL-UHFFFAOYSA-N
Compound name
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-1-(4-chloro-3-nitrophenyl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.00757 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.01485 184.9
[M+Na]+ 429.99679 199.9
[M+NH4]+ 425.04139 191.1
[M+K]+ 445.97073 196.1
[M-H]- 406.00029 188.9
[M+Na-2H]- 427.98224 190.8
[M]+ 407.00702 188.5
[M]- 407.00812 188.5
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.