CID 493099

Chembl43311

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CN(C(=O)N1CCCCCCOC2=CC=C(C=C2)C#N)C3=CC=NC=C3
InChI
InChI=1S/C21H24N4O2/c22-17-18-5-7-20(8-6-18)27-16-4-2-1-3-13-24-14-15-25(21(24)26)19-9-11-23-12-10-19/h5-12H,1-4,13-16H2
InChIKey
FRUOCGRDQGUBIF-UHFFFAOYSA-N
Compound name
4-[6-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)hexoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.1899 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 183.8
[M+Na]+ 387.17912 191.1
[M-H]- 363.18262 186.0
[M+NH4]+ 382.22372 191.7
[M+K]+ 403.15306 183.6
[M+H-H2O]+ 347.18716 165.2
[M+HCOO]- 409.18810 197.8
[M+CH3COO]- 423.20375 223.8
[M+Na-2H]- 385.16457 183.4
[M]+ 364.18935 179.3
[M]- 364.19045 179.3
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

No patent data available for this compound.