CID 3006444

Ethanethioamide, n-[[(5s)-3-[4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]-

Structural Information

Molecular Formula
C14H14FN5O2S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)N)F
InChI
InChI=1S/C14H14FN5O2S2/c1-7(23)17-5-9-6-20(14(21)22-9)8-2-3-10(11(15)4-8)12-18-19-13(16)24-12/h2-4,9H,5-6H2,1H3,(H2,16,19)(H,17,23)/t9-/m0/s1
InChIKey
QXDZIOMLHPFGGG-VIFPVBQESA-N
Compound name
N-[[(5S)-3-[4-(5-amino-1,3,4-thiadiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.05728 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06456 180.1
[M+Na]+ 390.04650 190.0
[M-H]- 366.05000 186.3
[M+NH4]+ 385.09110 191.5
[M+K]+ 406.02044 184.5
[M+H-H2O]+ 350.05454 172.5
[M+HCOO]- 412.05548 190.2
[M+CH3COO]- 426.07113 189.9
[M+Na-2H]- 388.03195 175.2
[M]+ 367.05673 180.9
[M]- 367.05783 180.9
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