CID 213687

26866-72-8

Structural Information

Molecular Formula
C17H13ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C(NC2=C(C3=C(C=CC=N3)C=C2)O)O
InChI
InChI=1S/C17H13ClN2O3/c18-12-5-1-3-11(9-12)15(21)17(23)20-13-7-6-10-4-2-8-19-14(10)16(13)22/h1-9,17,20,22-23H
InChIKey
VDQQYEICLSMFHC-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-hydroxy-2-[(8-hydroxyquinolin-7-yl)amino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.06146 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.068736 170.8
[M+Na]+ 351.050678 178.6
[M-H]- 327.054184 174.6
[M+NH4]+ 346.095283 183.3
[M+K]+ 367.024618 172.4
[M+H-H2O]+ 311.058720 163.2
[M+HCOO]- 373.059661 184.8
[M+CH3COO]- 387.075311 180.8
[M+Na-2H]- 349.036126 175.4
[M]+ 328.06091142 171.8
[M]- 328.06200858 171.8
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.