CID 9875401

Rivaroxaban

Structural Information

Molecular Formula
C19H18ClN3O5S
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
InChIKey
KGFYHTZWPPHNLQ-AWEZNQCLSA-N
Compound name
5-chloro-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
7
Annotation Hits

5581
References

16050
Patents

435.06558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.07286 197.5
[M+Na]+ 458.05480 208.1
[M+NH4]+ 453.09940 203.1
[M+K]+ 474.02874 205.1
[M-H]- 434.05830 204.5
[M+Na-2H]- 456.04025 201.4
[M]+ 435.06503 201.4
[M]- 435.06613 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe