CID 3074816

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

Structural Information

Molecular Formula
C21H25FN4O2
SMILES
C1CN(CCN1CCCCCN2C3=C(N=CC=C3)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H25FN4O2/c22-17-6-8-18(9-7-17)25-15-13-24(14-16-25)11-2-1-3-12-26-19-5-4-10-23-20(19)28-21(26)27/h4-10H,1-3,11-16H2
InChIKey
KIQKZVZZDVFWOL-UHFFFAOYSA-N
Compound name
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.19617 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20345 193.9
[M+Na]+ 407.18539 201.7
[M-H]- 383.18889 197.9
[M+NH4]+ 402.22999 201.0
[M+K]+ 423.15933 195.3
[M+H-H2O]+ 367.19343 180.4
[M+HCOO]- 429.19437 207.6
[M+CH3COO]- 443.21002 201.9
[M+Na-2H]- 405.17084 194.7
[M]+ 384.19562 194.3
[M]- 384.19672 194.3
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.