CID 361376

8-quinolinol, 7,7'-[(4-methoxyphenyl)methylene]bis-

Structural Information

Molecular Formula
C26H20N2O3
SMILES
COC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=C(C5=C(C=CC=N5)C=C4)O
InChI
InChI=1S/C26H20N2O3/c1-31-19-10-6-16(7-11-19)22(20-12-8-17-4-2-14-27-23(17)25(20)29)21-13-9-18-5-3-15-28-24(18)26(21)30/h2-15,22,29-30H,1H3
InChIKey
LKFGYSASEUQZFU-UHFFFAOYSA-N
Compound name
7-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

408.1474 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15468 200.2
[M+Na]+ 431.13662 208.6
[M-H]- 407.14012 206.7
[M+NH4]+ 426.18122 207.7
[M+K]+ 447.11056 200.9
[M+H-H2O]+ 391.14466 187.9
[M+HCOO]- 453.14560 215.4
[M+CH3COO]- 467.16125 208.3
[M+Na-2H]- 429.12207 205.5
[M]+ 408.14685 201.6
[M]- 408.14795 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe