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
8
Annotation Hits

5650
References

16216
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 201.4
[M+Na]+ 458.05480 208.0
[M-H]- 434.05830 213.4
[M+NH4]+ 453.09940 209.9
[M+K]+ 474.02874 205.1
[M+H-H2O]+ 418.06284 194.3
[M+HCOO]- 480.06378 209.3
[M+CH3COO]- 494.07943 210.3
[M+Na-2H]- 456.04025 195.9
[M]+ 435.06503 204.3
[M]- 435.06613 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

No patent data available for this compound.