CID 497387

Chembl131649

Structural Information

Molecular Formula
C18H17FN2O4S
SMILES
C1COCC=C1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)COC4=NSC=C4)F
InChI
InChI=1S/C18H17FN2O4S/c19-16-9-13(1-2-15(16)12-3-6-23-7-4-12)21-10-14(25-18(21)22)11-24-17-5-8-26-20-17/h1-3,5,8-9,14H,4,6-7,10-11H2/t14-/m1/s1
InChIKey
CGFVYPYFQCWLSX-CQSZACIVSA-N
Compound name
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluorophenyl]-5-(1,2-thiazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

376.0893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09658 183.7
[M+Na]+ 399.07852 191.7
[M-H]- 375.08202 194.5
[M+NH4]+ 394.12312 194.3
[M+K]+ 415.05246 189.6
[M+H-H2O]+ 359.08656 175.4
[M+HCOO]- 421.08750 196.7
[M+CH3COO]- 435.10315 194.2
[M+Na-2H]- 397.06397 179.9
[M]+ 376.08875 185.5
[M]- 376.08985 185.5
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