CID 3072495

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

Structural Information

Molecular Formula
C18H19FN4O2
SMILES
C1CN(CCN1CCN2C3=C(N=CC=C3)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H19FN4O2/c19-14-3-5-15(6-4-14)22-11-8-21(9-12-22)10-13-23-16-2-1-7-20-17(16)25-18(23)24/h1-7H,8-13H2
InChIKey
KVTGBLJGLWOMBV-UHFFFAOYSA-N
Compound name
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

342.1492 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15648 180.6
[M+Na]+ 365.13842 190.0
[M-H]- 341.14192 185.3
[M+NH4]+ 360.18302 189.6
[M+K]+ 381.11236 184.2
[M+H-H2O]+ 325.14646 167.9
[M+HCOO]- 387.14740 195.5
[M+CH3COO]- 401.16305 190.1
[M+Na-2H]- 363.12387 183.1
[M]+ 342.14865 180.2
[M]- 342.14975 180.2
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

patents stripe