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
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 |