CID 3006446

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

Structural Information

Molecular Formula
C16H16FN5O3S2
SMILES
CC(=O)NC1=NN=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=S)C)F
InChI
InChI=1S/C16H16FN5O3S2/c1-8(23)19-15-21-20-14(27-15)12-4-3-10(5-13(12)17)22-7-11(25-16(22)24)6-18-9(2)26/h3-5,11H,6-7H2,1-2H3,(H,18,26)(H,19,21,23)/t11-/m0/s1
InChIKey
DGBMMJCLWKGMIS-NSHDSACASA-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]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.06787 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07515 191.7
[M+Na]+ 432.05709 200.2
[M-H]- 408.06059 198.1
[M+NH4]+ 427.10169 201.4
[M+K]+ 448.03103 195.2
[M+H-H2O]+ 392.06513 184.0
[M+HCOO]- 454.06607 201.0
[M+CH3COO]- 468.08172 223.4
[M+Na-2H]- 430.04254 186.4
[M]+ 409.06732 194.1
[M]- 409.06842 194.1
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.