CID 497363

Chembl132242

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=CC=CC=N4)F
InChI
InChI=1S/C20H19FN2O4/c21-18-11-15(4-5-17(18)14-6-9-25-10-7-14)23-12-16(27-20(23)24)13-26-19-3-1-2-8-22-19/h1-6,8,11,16H,7,9-10,12-13H2/t16-/m1/s1
InChIKey
JOMUVXHKIXKHGF-MRXNPFEDSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(pyridin-2-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

370.13287 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.