CID 10182969

Apixaban

Structural Information

Molecular Formula
C25H25N5O4
SMILES
COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
InChI
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)
InChIKey
QNZCBYKSOIHPEH-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2945
References

12747
Patents

459.19064 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.19792 212.2
[M+Na]+ 482.17986 217.3
[M-H]- 458.18336 219.7
[M+NH4]+ 477.22446 216.1
[M+K]+ 498.15380 210.8
[M+H-H2O]+ 442.18790 198.9
[M+HCOO]- 504.18884 223.3
[M+CH3COO]- 518.20449 218.0
[M+Na-2H]- 480.16531 208.0
[M]+ 459.19009 208.0
[M]- 459.19119 208.0
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