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 197.3
[M+Na]+ 411.19039 205.6
[M-H]- 387.19389 200.3
[M+NH4]+ 406.23499 203.3
[M+K]+ 427.16433 196.4
[M+H-H2O]+ 371.19843 182.7
[M+HCOO]- 433.19937 209.0
[M+CH3COO]- 447.21502 204.2
[M+Na-2H]- 409.17584 200.2
[M]+ 388.20062 196.3
[M]- 388.20172 196.3
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

No patent data available for this compound.