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]+ 371.187776 189.5
[M+Na]+ 393.169718 197.8
[M-H]- 369.173224 193.8
[M+NH4]+ 388.214323 197.2
[M+K]+ 409.143658 191.6
[M+H-H2O]+ 353.177760 176.3
[M+HCOO]- 415.178701 203.6
[M+CH3COO]- 429.194351 198.0
[M+Na-2H]- 391.155166 190.8
[M]+ 370.17995142 189.6
[M]- 370.18104858 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.