CID 204102

Razaxaban hydrochloride

Structural Information

Molecular Formula
C24H20F4N8O2
SMILES
CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F
InChI
InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
InChIKey
OFJRNBWSFXEHSA-UHFFFAOYSA-N
Compound name
2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

2362
Patents

528.16455 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.17183 207.1
[M+Na]+ 551.15377 214.9
[M+NH4]+ 546.19837 207.9
[M+K]+ 567.12771 217.0
[M-H]- 527.15727 207.4
[M+Na-2H]- 549.13922 211.4
[M]+ 528.16400 207.8
[M]- 528.16510 207.8
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