CID 485759

Vrc3339

Structural Information

Molecular Formula
C15H19FN2O4S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SCCOC)F
InChI
InChI=1S/C15H19FN2O4S/c1-10(19)17-8-12-9-18(15(20)22-12)11-3-4-14(13(16)7-11)23-6-5-21-2/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKey
AYKWVVXIHIOSRC-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(2-methoxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

342.10495 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11223 177.7
[M+Na]+ 365.09417 184.6
[M-H]- 341.09767 182.5
[M+NH4]+ 360.13877 190.7
[M+K]+ 381.06811 182.0
[M+H-H2O]+ 325.10221 169.3
[M+HCOO]- 387.10315 192.5
[M+CH3COO]- 401.11880 211.2
[M+Na-2H]- 363.07962 175.1
[M]+ 342.10440 181.8
[M]- 342.10550 181.8
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