CID 497393

(5r)-3-[3-fluoro-4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2h-pyridin-4-yl]phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)oxazolidin-2-one

Structural Information

Molecular Formula
C20H21FN4O5S
SMILES
CC(C(=O)N1CCC(=CC1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NSN=C4)F)O
InChI
InChI=1S/C20H21FN4O5S/c1-12(26)19(27)24-6-4-13(5-7-24)16-3-2-14(8-17(16)21)25-10-15(30-20(25)28)11-29-18-9-22-31-23-18/h2-4,8-9,12,15,26H,5-7,10-11H2,1H3/t12?,15-/m1/s1
InChIKey
QNSBEHMIVPKMFK-WPZCJLIBSA-N
Compound name
(5R)-3-[3-fluoro-4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.12167 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12895 200.9
[M+Na]+ 471.11089 207.0
[M-H]- 447.11439 207.5
[M+NH4]+ 466.15549 206.2
[M+K]+ 487.08483 203.8
[M+H-H2O]+ 431.11893 191.3
[M+HCOO]- 493.11987 208.2
[M+CH3COO]- 507.13552 208.2
[M+Na-2H]- 469.09634 193.1
[M]+ 448.12112 201.9
[M]- 448.12222 201.9
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.