CID 213692

Brn 0447802

Structural Information

Molecular Formula
C18H15ClN2O4
SMILES
COC1=CC=CC(=C1)C(=O)C(NC2=CC(=C3C=CC=NC3=C2O)Cl)O
InChI
InChI=1S/C18H15ClN2O4/c1-25-11-5-2-4-10(8-11)16(22)18(24)21-14-9-13(19)12-6-3-7-20-15(12)17(14)23/h2-9,18,21,23-24H,1H3
InChIKey
AKVZMEBNXWSZJM-UHFFFAOYSA-N
Compound name
2-[(5-chloro-8-hydroxyquinolin-7-yl)amino]-2-hydroxy-1-(3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.07202 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07930 180.3
[M+Na]+ 381.06124 194.6
[M+NH4]+ 376.10584 187.0
[M+K]+ 397.03518 188.1
[M-H]- 357.06474 183.6
[M+Na-2H]- 379.04669 187.0
[M]+ 358.07147 183.5
[M]- 358.07257 183.5
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.