CID 371321

Nsc645395

Structural Information

Molecular Formula
C25H23ClN2O3
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H23ClN2O3/c26-21-10-6-19(7-11-21)25(30)20-8-12-23(13-9-20)31-18-24(29)28-16-14-27(15-17-28)22-4-2-1-3-5-22/h1-13H,14-18H2
InChIKey
PPGLIJQOJMOLCS-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorobenzoyl)phenoxy]-1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1397 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14698 203.6
[M+Na]+ 457.12892 207.7
[M-H]- 433.13242 211.8
[M+NH4]+ 452.17352 209.5
[M+K]+ 473.10286 200.7
[M+H-H2O]+ 417.13696 190.8
[M+HCOO]- 479.13790 213.8
[M+CH3COO]- 493.15355 210.5
[M+Na-2H]- 455.11437 202.8
[M]+ 434.13915 202.5
[M]- 434.14025 202.5
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.