CID 3006445

Ethanethioamide, n-[[(5s)-3-[3-fluoro-4-[5-(formylamino)-1,3,4-thiadiazol-2-yl]phenyl]-2-oxo-5-oxazolidinyl]methyl]-

Structural Information

Molecular Formula
C15H14FN5O3S2
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)NC=O)F
InChI
InChI=1S/C15H14FN5O3S2/c1-8(25)17-5-10-6-21(15(23)24-10)9-2-3-11(12(16)4-9)13-19-20-14(26-13)18-7-22/h2-4,7,10H,5-6H2,1H3,(H,17,25)(H,18,20,22)/t10-/m0/s1
InChIKey
RTJJBJLXKQKFNK-JTQLQIEISA-N
Compound name
N-[5-[4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1,3,4-thiadiazol-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.05222 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.05950 187.0
[M+Na]+ 418.04144 196.3
[M-H]- 394.04494 193.4
[M+NH4]+ 413.08604 197.2
[M+K]+ 434.01538 190.8
[M+H-H2O]+ 378.04948 179.1
[M+HCOO]- 440.05042 197.7
[M+CH3COO]- 454.06607 220.3
[M+Na-2H]- 416.02689 182.9
[M]+ 395.05167 189.6
[M]- 395.05277 189.6
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.