CID 46782891

5-chloro-n-[[(5s)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

Structural Information

Molecular Formula
C19H20ClN3O6S
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)CO)CNC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1
InChIKey
ZZABLIJBKARJCB-AWEZNQCLSA-N
Compound name
5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

453.07614 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.08342 204.3
[M+Na]+ 476.06536 208.8
[M-H]- 452.06886 212.9
[M+NH4]+ 471.10996 213.8
[M+K]+ 492.03930 206.0
[M+H-H2O]+ 436.07340 197.9
[M+HCOO]- 498.07434 214.8
[M+CH3COO]- 512.08999 228.0
[M+Na-2H]- 474.05081 199.4
[M]+ 453.07559 210.1
[M]- 453.07669 210.1
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.