CID 3021555

Benzamide, n-(4-((4-(4-chlorophenyl)-1-piperazinyl)carbonyl)phenyl)-4-methoxy-

Structural Information

Molecular Formula
C25H24ClN3O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H24ClN3O3/c1-32-23-12-4-18(5-13-23)24(30)27-21-8-2-19(3-9-21)25(31)29-16-14-28(15-17-29)22-10-6-20(26)7-11-22/h2-13H,14-17H2,1H3,(H,27,30)
InChIKey
XLKDESHIBGMDMM-UHFFFAOYSA-N
Compound name
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1506 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15788 208.2
[M+Na]+ 472.13982 223.5
[M+NH4]+ 467.18442 214.7
[M+K]+ 488.11376 214.7
[M-H]- 448.14332 215.5
[M+Na-2H]- 470.12527 218.2
[M]+ 449.15005 212.7
[M]- 449.15115 212.7
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.