CID 485763

Vrc3404

Structural Information

Molecular Formula
C15H16FN3O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)SCCC#N)F
InChI
InChI=1S/C15H16FN3O3S/c1-10(20)18-8-12-9-19(15(21)22-12)11-3-4-14(13(16)7-11)23-6-2-5-17/h3-4,7,12H,2,6,8-9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKey
JHFHTOOWUDZFOW-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-[4-(2-cyanoethylsulfanyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.08963 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09691 176.4
[M+Na]+ 360.07885 185.6
[M-H]- 336.08235 180.2
[M+NH4]+ 355.12345 188.2
[M+K]+ 376.05279 181.9
[M+H-H2O]+ 320.08689 161.4
[M+HCOO]- 382.08783 187.9
[M+CH3COO]- 396.10348 219.4
[M+Na-2H]- 358.06430 174.0
[M]+ 337.08908 173.5
[M]- 337.09018 173.5
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