CID 3003164

Methyl n-[1-[5-[4-[(5s)-5-[(ethanethioylamino)methyl]-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-1,3,4-thiadiazol-2-yl]ethyl]carbamate

Structural Information

Molecular Formula
C18H20FN5O4S2
SMILES
CC(C1=NN=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=S)C)F)NC(=O)OC
InChI
InChI=1S/C18H20FN5O4S2/c1-9(21-17(25)27-3)15-22-23-16(30-15)13-5-4-11(6-14(13)19)24-8-12(28-18(24)26)7-20-10(2)29/h4-6,9,12H,7-8H2,1-3H3,(H,20,29)(H,21,25)/t9?,12-/m0/s1
InChIKey
WOMWGMJJBMSWPR-ACGXKRRESA-N
Compound name
methyl N-[1-[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.0941 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.10138 202.6
[M+Na]+ 476.08332 209.3
[M-H]- 452.08682 208.7
[M+NH4]+ 471.12792 210.3
[M+K]+ 492.05726 205.3
[M+H-H2O]+ 436.09136 194.7
[M+HCOO]- 498.09230 210.4
[M+CH3COO]- 512.10795 231.5
[M+Na-2H]- 474.06877 196.2
[M]+ 453.09355 206.3
[M]- 453.09465 206.3
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.