CID 59677038

Edoxaban-m2

Structural Information

Molecular Formula
C17H27N5O2S
SMILES
CN1CCC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3N)C(=O)N(C)C
InChI
InChI=1S/C17H27N5O2S/c1-21(2)17(24)10-4-5-11(18)13(8-10)19-15(23)16-20-12-6-7-22(3)9-14(12)25-16/h10-11,13H,4-9,18H2,1-3H3,(H,19,23)/t10-,11-,13+/m0/s1
InChIKey
QJVMDGXTANLPMW-GMXVVIOVSA-N
Compound name
N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

365.18854 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19582 185.3
[M+Na]+ 388.17776 188.0
[M-H]- 364.18126 189.8
[M+NH4]+ 383.22236 197.8
[M+K]+ 404.15170 185.2
[M+H-H2O]+ 348.18580 177.1
[M+HCOO]- 410.18674 196.0
[M+CH3COO]- 424.20239 225.1
[M+Na-2H]- 386.16321 181.3
[M]+ 365.18799 181.6
[M]- 365.18909 181.6
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.