CID 485761

Vrc3343

Structural Information

Molecular Formula
C14H17FN2O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SCCO)F
InChI
InChI=1S/C14H17FN2O4S/c1-9(19)16-7-11-8-17(14(20)21-11)10-2-3-13(12(15)6-10)22-5-4-18/h2-3,6,11,18H,4-5,7-8H2,1H3,(H,16,19)/t11-/m0/s1
InChIKey
XSHPDGWGXGRALW-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

328.0893 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09658 173.3
[M+Na]+ 351.07852 180.3
[M-H]- 327.08202 176.9
[M+NH4]+ 346.12312 186.2
[M+K]+ 367.05246 177.0
[M+H-H2O]+ 311.08656 165.4
[M+HCOO]- 373.08750 187.0
[M+CH3COO]- 387.10315 205.9
[M+Na-2H]- 349.06397 170.9
[M]+ 328.08875 175.3
[M]- 328.08985 175.3
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

patents stripe