CID 117888

Brn 0419764

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)N=CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11ClN2O2/c18-12-5-3-11(4-6-12)16(22)10-20-14-7-8-15(21)17-13(14)2-1-9-19-17/h1-10,21H
InChIKey
OWGBLARJUJOWNJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(8-hydroxyquinolin-5-yl)iminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 168.4
[M+Na]+ 333.04012 177.9
[M-H]- 309.04362 174.8
[M+NH4]+ 328.08472 183.2
[M+K]+ 349.01406 171.3
[M+H-H2O]+ 293.04816 160.0
[M+HCOO]- 355.04910 186.3
[M+CH3COO]- 369.06475 180.0
[M+Na-2H]- 331.02557 174.7
[M]+ 310.05035 171.2
[M]- 310.05145 171.2
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

patents stripe