CID 3003167

(5s)-3-[3-fluoro-4-(5-{[(methylsulfonyl)amino]methyl}(1,3,4-thiadiazol-2-yl))phenyl]-5-{[(thioxoethyl)amino]methyl}-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C16H18FN5O4S3
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)CNS(=O)(=O)C)F
InChI
InChI=1S/C16H18FN5O4S3/c1-9(27)18-6-11-8-22(16(23)26-11)10-3-4-12(13(17)5-10)15-21-20-14(28-15)7-19-29(2,24)25/h3-5,11,19H,6-8H2,1-2H3,(H,18,27)/t11-/m0/s1
InChIKey
KSGUXSNWQGUXPC-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[5-(methanesulfonamidomethyl)-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.0505 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.05778 202.0
[M+Na]+ 482.03972 210.6
[M-H]- 458.04322 207.3
[M+NH4]+ 477.08432 209.6
[M+K]+ 498.01366 203.9
[M+H-H2O]+ 442.04776 195.6
[M+HCOO]- 504.04870 205.9
[M+CH3COO]- 518.06435 229.3
[M+Na-2H]- 480.02517 199.4
[M]+ 459.04995 204.3
[M]- 459.05105 204.3
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

No patent data available for this compound.