CID 3003172

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

Structural Information

Molecular Formula
C18H20FN5O2S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)[C@@H]4CCCN4)F
InChI
InChI=1S/C18H20FN5O2S2/c1-10(27)21-8-12-9-24(18(25)26-12)11-4-5-13(14(19)7-11)16-22-23-17(28-16)15-3-2-6-20-15/h4-5,7,12,15,20H,2-3,6,8-9H2,1H3,(H,21,27)/t12-,15-/m0/s1
InChIKey
FNPYBRPXNNFRIB-WFASDCNBSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-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

421.10425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11153 193.4
[M+Na]+ 444.09347 201.9
[M-H]- 420.09697 200.8
[M+NH4]+ 439.13807 203.1
[M+K]+ 460.06741 196.7
[M+H-H2O]+ 404.10151 186.8
[M+HCOO]- 466.10245 199.6
[M+CH3COO]- 480.11810 201.7
[M+Na-2H]- 442.07892 184.0
[M]+ 421.10370 192.6
[M]- 421.10480 192.6
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

No patent data available for this compound.