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]+ 399.219076 198.2
[M+Na]+ 421.201018 205.6
[M-H]- 397.204524 202.1
[M+NH4]+ 416.245623 204.7
[M+K]+ 437.174958 199.0
[M+H-H2O]+ 381.209060 184.6
[M+HCOO]- 443.210001 211.6
[M+CH3COO]- 457.225651 205.8
[M+Na-2H]- 419.186466 198.5
[M]+ 398.21125142 198.9
[M]- 398.21234858 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.