CID 497388

Chembl135576

Structural Information

Molecular Formula
C17H16FN3O4S
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NSN=C4)F
InChI
InChI=1S/C17H16FN3O4S/c18-15-7-12(1-2-14(15)11-3-5-23-6-4-11)21-9-13(25-17(21)22)10-24-16-8-19-26-20-16/h1-3,7-8,13H,4-6,9-10H2/t13-/m1/s1
InChIKey
UVIQLROLDQLNLD-CYBMUJFWSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(1,2,5-thiadiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

377.08456 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09184 182.9
[M+Na]+ 400.07378 191.3
[M-H]- 376.07728 192.5
[M+NH4]+ 395.11838 192.0
[M+K]+ 416.04772 189.2
[M+H-H2O]+ 360.08182 173.9
[M+HCOO]- 422.08276 194.9
[M+CH3COO]- 436.09841 193.0
[M+Na-2H]- 398.05923 179.1
[M]+ 377.08401 184.7
[M]- 377.08511 184.7
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