CID 493094

Chembl297055

Structural Information

Molecular Formula
C25H26N4O4
SMILES
C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4
InChI
InChI=1S/C25H26N4O4/c30-25-27(17-18-28(25)22-12-14-26-15-13-22)16-2-1-3-19-33-24-10-6-21(7-11-24)20-4-8-23(9-5-20)29(31)32/h4-15H,1-3,16-19H2
InChIKey
HRWNVPVRWKRHAY-UHFFFAOYSA-N
Compound name
1-[5-[4-(4-nitrophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.1954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 209.1
[M+Na]+ 469.18462 211.7
[M-H]- 445.18812 217.0
[M+NH4]+ 464.22922 213.3
[M+K]+ 485.15856 201.3
[M+H-H2O]+ 429.19266 199.8
[M+HCOO]- 491.19360 227.0
[M+CH3COO]- 505.20925 224.7
[M+Na-2H]- 467.17007 210.6
[M]+ 446.19485 207.4
[M]- 446.19595 207.4
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.