CID 497382

Chembl131863

Structural Information

Molecular Formula
C20H22FN3O5
SMILES
C1CN(CC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NOC=C4)F)CCO
InChI
InChI=1S/C20H22FN3O5/c21-18-11-15(1-2-17(18)14-3-6-23(7-4-14)8-9-25)24-12-16(29-20(24)26)13-27-19-5-10-28-22-19/h1-3,5,10-11,16,25H,4,6-9,12-13H2/t16-/m1/s1
InChIKey
QSWRXDIKIPSEBR-MRXNPFEDSA-N
Compound name
(5R)-3-[3-fluoro-4-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

403.15436 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16164 192.1
[M+Na]+ 426.14358 198.1
[M-H]- 402.14708 199.8
[M+NH4]+ 421.18818 198.3
[M+K]+ 442.11752 195.5
[M+H-H2O]+ 386.15162 181.3
[M+HCOO]- 448.15256 205.4
[M+CH3COO]- 462.16821 200.5
[M+Na-2H]- 424.12903 188.3
[M]+ 403.15381 192.2
[M]- 403.15491 192.2
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.