CID 10203943

O-demethyl apixaban

Structural Information

Molecular Formula
C24H23N5O4
SMILES
C1CCN(C(=O)C1)C2=CC=C(C=C2)N3CCC4=C(C3=O)N(N=C4C(=O)N)C5=CC=C(C=C5)O
InChI
InChI=1S/C24H23N5O4/c25-23(32)21-19-12-14-28(16-6-4-15(5-7-16)27-13-2-1-3-20(27)31)24(33)22(19)29(26-21)17-8-10-18(30)11-9-17/h4-11,30H,1-3,12-14H2,(H2,25,32)
InChIKey
HGHLWAZFIGRAOT-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-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
2
Annotation Hits

0
References

58
Patents

445.17502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 207.8
[M+Na]+ 468.16424 213.0
[M-H]- 444.16774 214.3
[M+NH4]+ 463.20884 211.7
[M+K]+ 484.13818 206.0
[M+H-H2O]+ 428.17228 195.2
[M+HCOO]- 490.17322 217.9
[M+CH3COO]- 504.18887 213.6
[M+Na-2H]- 466.14969 203.9
[M]+ 445.17447 201.8
[M]- 445.17557 201.8
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