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
2
Annotation Hits

0
References

4
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 191.4
[M+Na]+ 418.05987 198.0
[M-H]- 394.06337 200.0
[M+NH4]+ 413.10447 203.7
[M+K]+ 434.03381 193.3
[M+H-H2O]+ 378.06791 184.8
[M+HCOO]- 440.06885 204.0
[M+CH3COO]- 454.08450 217.0
[M+Na-2H]- 416.04532 188.4
[M]+ 395.07010 195.5
[M]- 395.07120 195.5
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