CID 3490788

4-chloro-2-((quinolin-8-ylimino)methyl)phenol

Structural Information

Molecular Formula
C16H11ClN2O
SMILES
C1=CC2=C(C(=C1)N=CC3=C(C=CC(=C3)Cl)O)N=CC=C2
InChI
InChI=1S/C16H11ClN2O/c17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H
InChIKey
KLFCVAKGVZVKCQ-UHFFFAOYSA-N
Compound name
4-chloro-2-(quinolin-8-yliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06328 162.2
[M+Na]+ 305.04522 179.9
[M+NH4]+ 300.08982 172.0
[M+K]+ 321.01916 169.7
[M-H]- 281.04872 168.4
[M+Na-2H]- 303.03067 172.9
[M]+ 282.05545 167.0
[M]- 282.05655 167.0
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.