CID 3073120

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C17H17FN4O2
SMILES
C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H17FN4O2/c18-13-3-5-14(6-4-13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)2-1-7-19-16/h1-7H,8-12H2
InChIKey
BNKPIBNLXWVEBN-UHFFFAOYSA-N
Compound name
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

328.13354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14082 176.9
[M+Na]+ 351.12276 192.1
[M+NH4]+ 346.16736 183.2
[M+K]+ 367.09670 186.6
[M-H]- 327.12626 180.8
[M+Na-2H]- 349.10821 184.0
[M]+ 328.13299 180.1
[M]- 328.13409 180.1
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