CID 3074815

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

Structural Information

Molecular Formula
C20H23FN4O2
SMILES
C1CN(CCN1CCCCN2C3=C(N=CC=C3)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H23FN4O2/c21-16-5-7-17(8-6-16)24-14-12-23(13-15-24)10-1-2-11-25-18-4-3-9-22-19(18)27-20(25)26/h3-9H,1-2,10-15H2
InChIKey
NWWIANVERZWOLK-UHFFFAOYSA-N
Compound name
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.1805 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18778 189.5
[M+Na]+ 393.16972 197.8
[M-H]- 369.17322 193.8
[M+NH4]+ 388.21432 197.2
[M+K]+ 409.14366 191.6
[M+H-H2O]+ 353.17776 176.3
[M+HCOO]- 415.17870 203.6
[M+CH3COO]- 429.19435 198.0
[M+Na-2H]- 391.15517 190.8
[M]+ 370.17995 189.6
[M]- 370.18105 189.6
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.