CID 5745484

Propanenitrile, 3-((cyclohexyl(7-hydroxy-4-methyl-2-oxo-2h-1-benzopyran-8-yl)methyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CN(CCC#N)C3CCCCC3)O
InChI
InChI=1S/C20H24N2O3/c1-14-12-19(24)25-20-16(14)8-9-18(23)17(20)13-22(11-5-10-21)15-6-3-2-4-7-15/h8-9,12,15,23H,2-7,11,13H2,1H3
InChIKey
GOGUJOZSDAPDJX-UHFFFAOYSA-N
Compound name
3-[cyclohexyl-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 185.1
[M+Na]+ 363.16790 196.7
[M+NH4]+ 358.21250 189.0
[M+K]+ 379.14184 186.3
[M-H]- 339.17140 183.1
[M+Na-2H]- 361.15335 187.0
[M]+ 340.17813 185.3
[M]- 340.17923 185.3
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.