CID 96568204

Azd-1446 free base

Structural Information

Molecular Formula
C11H13ClN2O2
SMILES
C1[C@@H]2CN(C[C@@H]2CN1)C(=O)C3=CC=C(O3)Cl
InChI
InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2/t7-,8+
InChIKey
GTUIQNHJSXQMKW-OCAPTIKFSA-N
Compound name
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chlorofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

120
Patents

240.06656 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07384 156.1
[M+Na]+ 263.05578 163.9
[M-H]- 239.05928 160.4
[M+NH4]+ 258.10038 175.8
[M+K]+ 279.02972 160.9
[M+H-H2O]+ 223.06382 150.2
[M+HCOO]- 285.06476 169.0
[M+CH3COO]- 299.08041 167.8
[M+Na-2H]- 261.04123 154.3
[M]+ 240.06601 154.9
[M]- 240.06711 154.9
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.