CID 59190906

Rivaroxaban m6

Structural Information

Molecular Formula
C17H18ClN3O4S
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)NCCO)CNC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C17H18ClN3O4S/c18-15-6-5-14(26-15)16(23)20-9-13-10-21(17(24)25-13)12-3-1-11(2-4-12)19-7-8-22/h1-6,13,19,22H,7-10H2,(H,20,23)/t13-/m0/s1
InChIKey
SHYGJDDTGJVQSP-ZDUSSCGKSA-N
Compound name
5-chloro-N-[[(5S)-3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.07065 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.07793 190.6
[M+Na]+ 418.05987 199.4
[M+NH4]+ 413.10447 196.3
[M+K]+ 434.03381 196.0
[M-H]- 394.06337 195.3
[M+Na-2H]- 416.04532 194.3
[M]+ 395.07010 193.4
[M]- 395.07120 193.4
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.