CID 1093278

Mls1547

Structural Information

Molecular Formula
C19H19ClN4O
SMILES
C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Cl)C4=CC=CC=N4
InChI
InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2
InChIKey
OPEJNANYABTIGC-UHFFFAOYSA-N
Compound name
5-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

18
Patents

354.12473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13201 185.4
[M+Na]+ 377.11395 202.9
[M+NH4]+ 372.15855 193.4
[M+K]+ 393.08789 193.1
[M-H]- 353.11745 190.7
[M+Na-2H]- 375.09940 194.6
[M]+ 354.12418 189.9
[M]- 354.12528 189.9
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