CID 91971681

1160169-98-1

Structural Information

Molecular Formula
C19H18ClN3O7S
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N(CCO)C(=O)C(=O)O)CNC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C19H18ClN3O7S/c20-15-6-5-14(31-15)16(25)21-9-13-10-23(19(29)30-13)12-3-1-11(2-4-12)22(7-8-24)17(26)18(27)28/h1-6,13,24H,7-10H2,(H,21,25)(H,27,28)/t13-/m0/s1
InChIKey
ACZBOAUOQTVZSF-ZDUSSCGKSA-N
Compound name
2-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-N-(2-hydroxyethyl)anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

467.0554 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.06268 203.8
[M+Na]+ 490.04462 209.5
[M+NH4]+ 485.08922 206.5
[M+K]+ 506.01856 209.9
[M-H]- 466.04812 205.8
[M+Na-2H]- 488.03007 205.1
[M]+ 467.05485 205.1
[M]- 467.05595 205.1
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.