CID 44139752

Osilodrostat

Structural Information

Molecular Formula
C13H10FN3
SMILES
C1CC2=CN=CN2[C@H]1C3=C(C=C(C=C3)C#N)F
InChI
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
InChIKey
USUZGMWDZDXMDG-CYBMUJFWSA-N
Compound name
4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

91
References

595
Patents

227.08588 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.093156 148.0
[M+Na]+ 250.075098 160.1
[M-H]- 226.078604 150.5
[M+NH4]+ 245.119703 165.7
[M+K]+ 266.049038 152.9
[M+H-H2O]+ 210.083140 132.4
[M+HCOO]- 272.084081 165.3
[M+CH3COO]- 286.099731 159.2
[M+Na-2H]- 248.060546 150.0
[M]+ 227.08533142 141.6
[M]- 227.08642858 141.6
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