CID 9843949

Chembl218340

Structural Information

Molecular Formula
C24H24N4O2
SMILES
C1CN(CCN1CC2=C3C=CC=NC3=C(C=C2)O)CC4=C5C=CC=NC5=C(C=C4)O
InChI
InChI=1S/C24H24N4O2/c29-21-7-5-17(19-3-1-9-25-23(19)21)15-27-11-13-28(14-12-27)16-18-6-8-22(30)24-20(18)4-2-10-26-24/h1-10,29-30H,11-16H2
InChIKey
DOVAIILGKBUWDI-UHFFFAOYSA-N
Compound name
5-[[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

400.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 200.4
[M+Na]+ 423.17912 207.5
[M-H]- 399.18262 203.2
[M+NH4]+ 418.22372 205.6
[M+K]+ 439.15306 198.2
[M+H-H2O]+ 383.18716 186.8
[M+HCOO]- 445.18810 210.3
[M+CH3COO]- 459.20375 206.6
[M+Na-2H]- 421.16457 204.9
[M]+ 400.18935 197.3
[M]- 400.19045 197.3
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