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 209.1
[M+Na]+ 492.01582 216.5
[M-H]- 468.01932 220.6
[M+NH4]+ 487.06042 217.0
[M+K]+ 507.98976 213.0
[M+H-H2O]+ 452.02386 202.4
[M+HCOO]- 514.02480 211.8
[M+CH3COO]- 528.04045 217.3
[M+Na-2H]- 490.00127 202.2
[M]+ 469.02605 213.5
[M]- 469.02715 213.5
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.