CID 485770

Vrc325

Structural Information

Molecular Formula
C17H22FN3O3
SMILES
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCCCC3)F
InChI
InChI=1S/C17H22FN3O3/c1-12(22)19-10-14-11-21(17(23)24-14)13-5-6-16(15(18)9-13)20-7-3-2-4-8-20/h5-6,9,14H,2-4,7-8,10-11H2,1H3,(H,19,22)
InChIKey
DVLGNTKUOQIJCC-UHFFFAOYSA-N
Compound name
N-[[3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.16452 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17180 179.7
[M+Na]+ 358.15374 184.1
[M-H]- 334.15724 185.2
[M+NH4]+ 353.19834 190.2
[M+K]+ 374.12768 181.1
[M+H-H2O]+ 318.16178 169.1
[M+HCOO]- 380.16272 194.3
[M+CH3COO]- 394.17837 211.3
[M+Na-2H]- 356.13919 177.4
[M]+ 335.16397 174.5
[M]- 335.16507 174.5
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

patents stripe