CID 3003170

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

Structural Information

Molecular Formula
C18H22FN5O2S2
SMILES
CC(C)[C@@H](C1=NN=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=S)C)F)N
InChI
InChI=1S/C18H22FN5O2S2/c1-9(2)15(20)17-23-22-16(28-17)13-5-4-11(6-14(13)19)24-8-12(26-18(24)25)7-21-10(3)27/h4-6,9,12,15H,7-8,20H2,1-3H3,(H,21,27)/t12-,15-/m0/s1
InChIKey
RMYMDOCPWSLHCI-WFASDCNBSA-N
Compound name
N-[[(5S)-3-[4-[5-[(1S)-1-amino-2-methylpropyl]-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

0
Patents

423.1199 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12718 196.6
[M+Na]+ 446.10912 203.8
[M-H]- 422.11262 202.3
[M+NH4]+ 441.15372 205.6
[M+K]+ 462.08306 198.8
[M+H-H2O]+ 406.11716 188.8
[M+HCOO]- 468.11810 203.3
[M+CH3COO]- 482.13375 228.6
[M+Na-2H]- 444.09457 188.6
[M]+ 423.11935 197.7
[M]- 423.12045 197.7
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.