CID 497365

Chembl133692

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=CC=NC=C4)F
InChI
InChI=1S/C20H19FN2O4/c21-19-11-15(1-2-18(19)14-5-9-25-10-6-14)23-12-17(27-20(23)24)13-26-16-3-7-22-8-4-16/h1-5,7-8,11,17H,6,9-10,12-13H2/t17-/m1/s1
InChIKey
NMMIGQCSDCNTAA-QGZVFWFLSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(pyridin-4-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

370.13287 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14015 186.3
[M+Na]+ 393.12209 192.5
[M-H]- 369.12559 195.8
[M+NH4]+ 388.16669 193.8
[M+K]+ 409.09603 189.8
[M+H-H2O]+ 353.13013 174.4
[M+HCOO]- 415.13107 201.4
[M+CH3COO]- 429.14672 195.6
[M+Na-2H]- 391.10754 186.2
[M]+ 370.13232 184.8
[M]- 370.13342 184.8
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