CID 5275502

1-piperazineacetamide, n-[2-(4-fluorophenyl)-5-benzoxazolyl]-

Structural Information

Molecular Formula
C19H19FN4O2
SMILES
C1CN(CCN1)CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H19FN4O2/c20-14-3-1-13(2-4-14)19-23-16-11-15(5-6-17(16)26-19)22-18(25)12-24-9-7-21-8-10-24/h1-6,11,21H,7-10,12H2,(H,22,25)
InChIKey
WXLDMJWYEVYQIQ-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1492 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15648 181.5
[M+Na]+ 377.13842 187.9
[M-H]- 353.14192 186.0
[M+NH4]+ 372.18302 190.0
[M+K]+ 393.11236 182.1
[M+H-H2O]+ 337.14646 169.7
[M+HCOO]- 399.14740 196.2
[M+CH3COO]- 413.16305 189.9
[M+Na-2H]- 375.12387 184.1
[M]+ 354.14865 177.7
[M]- 354.14975 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.