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

literature stripe

Patent stripe

patents stripe