CID 131667832

2-hydroxy-5-oxo-rivaroxaban

Structural Information

Molecular Formula
C19H18ClN3O6S
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3CC(OCC3=O)O)CNC(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C19H18ClN3O6S/c20-15-6-5-14(30-15)18(26)21-7-13-8-23(19(27)29-13)12-3-1-11(2-4-12)22-9-17(25)28-10-16(22)24/h1-6,13,17,25H,7-10H2,(H,21,26)/t13-,17?/m0/s1
InChIKey
UBDKZHPDNBKQFQ-CWQZNGJJSA-N
Compound name
5-chloro-N-[[(5S)-3-[4-(2-hydroxy-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

451.0605 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.06778 200.8
[M+Na]+ 474.04972 210.7
[M+NH4]+ 469.09432 205.5
[M+K]+ 490.02366 208.8
[M-H]- 450.05322 207.0
[M+Na-2H]- 472.03517 203.6
[M]+ 451.05995 204.3
[M]- 451.06105 204.3
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

patents stripe