CID 46782891

Rivaroxaban diol

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
2
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 202.8
[M+Na]+ 476.06536 209.4
[M+NH4]+ 471.10996 206.5
[M+K]+ 492.03930 208.3
[M-H]- 452.06886 205.7
[M+Na-2H]- 474.05081 204.8
[M]+ 453.07559 204.6
[M]- 453.07669 204.6
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.