CID 459683

Alpha-[p-(2-quinolyl)phenylimino]o-cresol

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)N=CC4=CC=CC=C4O
InChI
InChI=1S/C22H16N2O/c25-22-8-4-2-6-18(22)15-23-19-12-9-17(10-13-19)21-14-11-16-5-1-3-7-20(16)24-21/h1-15,25H
InChIKey
SJXOPRJQQQASCZ-UHFFFAOYSA-N
Compound name
2-[(4-quinolin-2-ylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 177.2
[M+Na]+ 347.11547 185.1
[M-H]- 323.11897 186.3
[M+NH4]+ 342.16007 189.9
[M+K]+ 363.08941 177.7
[M+H-H2O]+ 307.12351 166.2
[M+HCOO]- 369.12445 199.6
[M+CH3COO]- 383.14010 187.9
[M+Na-2H]- 345.10092 184.7
[M]+ 324.12570 176.3
[M]- 324.12680 176.3
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.