CID 3003169

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

Structural Information

Molecular Formula
C17H20FN5O2S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)C(C)(C)N)F
InChI
InChI=1S/C17H20FN5O2S2/c1-9(26)20-7-11-8-23(16(24)25-11)10-4-5-12(13(18)6-10)14-21-22-15(27-14)17(2,3)19/h4-6,11H,7-8,19H2,1-3H3,(H,20,26)/t11-/m0/s1
InChIKey
OCJFKGRRSCSQMA-NSHDSACASA-N
Compound name
N-[[(5S)-3-[4-[5-(2-aminopropan-2-yl)-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

409.10425 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11153 194.2
[M+Na]+ 432.09347 202.8
[M-H]- 408.09697 200.0
[M+NH4]+ 427.13807 203.9
[M+K]+ 448.06741 197.3
[M+H-H2O]+ 392.10151 186.7
[M+HCOO]- 454.10245 201.8
[M+CH3COO]- 468.11810 224.4
[M+Na-2H]- 430.07892 189.3
[M]+ 409.10370 195.3
[M]- 409.10480 195.3
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.