CID 706924

101153-54-2

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C19H18N4O/c24-19(16-7-9-20-10-8-16)23-13-11-22(12-14-23)18-6-5-15-3-1-2-4-17(15)21-18/h1-10H,11-14H2
InChIKey
MHPUIBLIRIJKFE-UHFFFAOYSA-N
Compound name
pyridin-4-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.14807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 176.7
[M+Na]+ 341.13729 192.8
[M+NH4]+ 336.18189 184.4
[M+K]+ 357.11123 184.2
[M-H]- 317.14079 181.9
[M+Na-2H]- 339.12274 186.7
[M]+ 318.14752 180.5
[M]- 318.14862 180.5
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

No patent data available for this compound.