CID 132240

Brn 5359623

Structural Information

Molecular Formula
C22H24N6O
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C22H24N6O/c29-22-27-12-4-3-8-21(27)24-28(22)13-5-11-25-14-16-26(17-15-25)20-10-9-18-6-1-2-7-19(18)23-20/h1-4,6-10,12H,5,11,13-17H2
InChIKey
SPTHERJMPORMKM-UHFFFAOYSA-N
Compound name
2-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.20117 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.20845 195.6
[M+Na]+ 411.19039 212.4
[M+NH4]+ 406.23499 202.1
[M+K]+ 427.16433 204.9
[M-H]- 387.19389 199.7
[M+Na-2H]- 409.17584 203.6
[M]+ 388.20062 199.2
[M]- 388.20172 199.2
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.