CID 78358408

1770812-37-7

Structural Information

Molecular Formula
C19H17Cl2N3O5S
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC(=C(S4)Cl)Cl
InChI
InChI=1S/C19H17Cl2N3O5S/c20-14-7-15(30-17(14)21)18(26)22-8-13-9-24(19(27)29-13)12-3-1-11(2-4-12)23-5-6-28-10-16(23)25/h1-4,7,13H,5-6,8-10H2,(H,22,26)/t13-/m0/s1
InChIKey
CCLKYVZRBJQFLK-ZDUSSCGKSA-N
Compound name
4,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.0266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.03388 203.7
[M+Na]+ 492.01582 215.1
[M+NH4]+ 487.06042 209.3
[M+K]+ 507.98976 211.3
[M-H]- 468.01932 210.5
[M+Na-2H]- 490.00127 207.2
[M]+ 469.02605 207.9
[M]- 469.02715 207.9
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.