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 178.2
[M+Na]+ 381.06124 186.2
[M-H]- 357.06474 182.2
[M+NH4]+ 376.10584 189.7
[M+K]+ 397.03518 180.7
[M+H-H2O]+ 341.06928 170.4
[M+HCOO]- 403.07022 192.1
[M+CH3COO]- 417.08587 212.5
[M+Na-2H]- 379.04669 181.7
[M]+ 358.07147 181.4
[M]- 358.07257 181.4
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.