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 207.5
[M+Na]+ 472.13982 211.7
[M-H]- 448.14332 216.1
[M+NH4]+ 467.18442 212.8
[M+K]+ 488.11376 204.9
[M+H-H2O]+ 432.14786 194.8
[M+HCOO]- 494.14880 218.8
[M+CH3COO]- 508.16445 214.2
[M+Na-2H]- 470.12527 206.8
[M]+ 449.15005 206.4
[M]- 449.15115 206.4
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.