CID 478456

3w50i0proq

Structural Information

Molecular Formula
C18H23FN2O4S
SMILES
CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)CC3)F
InChI
InChI=1S/C18H23FN2O4S/c1-2-17(22)20-10-14-11-21(18(23)25-14)13-3-4-15(16(19)9-13)12-5-7-26(24)8-6-12/h3-4,9,12,14H,2,5-8,10-11H2,1H3,(H,20,22)/t12?,14-,26?/m0/s1
InChIKey
RYPCUAJXKPWTPC-RQXQQJJBSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.13626 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14354 188.7
[M+Na]+ 405.12548 193.9
[M-H]- 381.12898 195.9
[M+NH4]+ 400.17008 199.7
[M+K]+ 421.09942 190.2
[M+H-H2O]+ 365.13352 179.9
[M+HCOO]- 427.13446 199.9
[M+CH3COO]- 441.15011 218.0
[M+Na-2H]- 403.11093 183.7
[M]+ 382.13571 187.1
[M]- 382.13681 187.1
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