CID 478258

Schembl7710552

Structural Information

Molecular Formula
C18H23FN2O5S
SMILES
CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)(=O)CC3)F
InChI
InChI=1S/C18H23FN2O5S/c1-2-17(22)20-10-14-11-21(18(23)26-14)13-3-4-15(16(19)9-13)12-5-7-27(24,25)8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,20,22)/t14-/m0/s1
InChIKey
ODPCUBHJHVHEHJ-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.13116 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13844 189.0
[M+Na]+ 421.12038 195.0
[M-H]- 397.12388 196.3
[M+NH4]+ 416.16498 201.1
[M+K]+ 437.09432 191.9
[M+H-H2O]+ 381.12842 181.0
[M+HCOO]- 443.12936 200.5
[M+CH3COO]- 457.14501 219.2
[M+Na-2H]- 419.10583 186.1
[M]+ 398.13061 188.6
[M]- 398.13171 188.6
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