CID 213693

26873-14-3

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)C(=O)C=NC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C17H11ClN2O2/c18-12-4-1-3-11(9-12)16(22)10-20-14-6-7-15(21)17-13(14)5-2-8-19-17/h1-10,21H
InChIKey
KRZCRYIUILLCGS-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-2-(8-hydroxyquinolin-5-yl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05818 168.6
[M+Na]+ 333.04012 185.3
[M+NH4]+ 328.08472 177.2
[M+K]+ 349.01406 176.2
[M-H]- 309.04362 173.8
[M+Na-2H]- 331.02557 178.2
[M]+ 310.05035 172.9
[M]- 310.05145 172.9
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.