CID 118676295

Vicadrostat

Structural Information

Molecular Formula
C15H12ClN3O3
SMILES
C[C@@]1(CC2=C(C(=O)O1)N(C=N2)C3=CC(=C(C=C3)C#N)Cl)CO
InChI
InChI=1S/C15H12ClN3O3/c1-15(7-20)5-12-13(14(21)22-15)19(8-18-12)10-3-2-9(6-17)11(16)4-10/h2-4,8,20H,5,7H2,1H3/t15-/m1/s1
InChIKey
MCVIVPZYYMNCAW-OAHLLOKOSA-N
Compound name
2-chloro-4-[(6R)-6-(hydroxymethyl)-6-methyl-4-oxo-7H-pyrano[3,4-d]imidazol-3-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

317.05673 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06401 168.5
[M+Na]+ 340.04595 182.2
[M-H]- 316.04945 171.8
[M+NH4]+ 335.09055 182.5
[M+K]+ 356.01989 174.6
[M+H-H2O]+ 300.05399 154.7
[M+HCOO]- 362.05493 178.5
[M+CH3COO]- 376.07058 178.6
[M+Na-2H]- 338.03140 171.4
[M]+ 317.05618 166.6
[M]- 317.05728 166.6
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