CID 5466903

Nsc645389

Structural Information

Molecular Formula
C27H26N2O3
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)/C=C/C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H26N2O3/c30-26(23-7-3-1-4-8-23)16-13-22-11-14-25(15-12-22)32-21-27(31)29-19-17-28(18-20-29)24-9-5-2-6-10-24/h1-16H,17-21H2/b16-13+
InChIKey
FRXRUVNVFQKNNB-DTQAZKPQSA-N
Compound name
(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.19434 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20162 205.8
[M+Na]+ 449.18356 207.5
[M-H]- 425.18706 213.4
[M+NH4]+ 444.22816 210.5
[M+K]+ 465.15750 200.8
[M+H-H2O]+ 409.19160 192.1
[M+HCOO]- 471.19254 219.9
[M+CH3COO]- 485.20819 211.7
[M+Na-2H]- 447.16901 205.0
[M]+ 426.19379 201.4
[M]- 426.19489 201.4
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.