CID 3074817

Oxazolo(5,4-b)pyridin-2(1h)-one, 1-(6-(4-(4-fluorophenyl)-1-piperazinyl)hexyl)-

Structural Information

Molecular Formula
C22H27FN4O2
SMILES
C1CN(CCN1CCCCCCN2C3=C(N=CC=C3)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H27FN4O2/c23-18-7-9-19(10-8-18)26-16-14-25(15-17-26)12-3-1-2-4-13-27-20-6-5-11-24-21(20)29-22(27)28/h5-11H,1-4,12-17H2
InChIKey
HFEMLVREJWONDZ-UHFFFAOYSA-N
Compound name
1-[6-[4-(4-fluorophenyl)piperazin-1-yl]hexyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.2118 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21908 198.2
[M+Na]+ 421.20102 205.6
[M-H]- 397.20452 202.1
[M+NH4]+ 416.24562 204.7
[M+K]+ 437.17496 199.0
[M+H-H2O]+ 381.20906 184.6
[M+HCOO]- 443.21000 211.6
[M+CH3COO]- 457.22565 205.8
[M+Na-2H]- 419.18647 198.5
[M]+ 398.21125 198.9
[M]- 398.21235 198.9
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

No patent data available for this compound.