CID 493095

Chembl44788

Structural Information

Molecular Formula
C26H26N4O2
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=NC=C4
InChI
InChI=1S/C26H26N4O2/c27-20-21-4-6-22(7-5-21)23-8-10-25(11-9-23)32-19-3-1-2-16-29-17-18-30(26(29)31)24-12-14-28-15-13-24/h4-15H,1-3,16-19H2
InChIKey
YMUKVEFALCARDF-UHFFFAOYSA-N
Compound name
4-[4-[5-(2-oxo-3-pyridin-4-ylimidazolidin-1-yl)pentoxy]phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.20557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 202.9
[M+Na]+ 449.19479 210.2
[M-H]- 425.19829 207.2
[M+NH4]+ 444.23939 207.8
[M+K]+ 465.16873 200.2
[M+H-H2O]+ 409.20283 182.9
[M+HCOO]- 471.20377 216.0
[M+CH3COO]- 485.21942 208.5
[M+Na-2H]- 447.18024 200.9
[M]+ 426.20502 197.4
[M]- 426.20612 197.4
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.