CID 55552

Acetamide, n-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-2-(2,4,5-trichlorophenoxy)-, monohydrochloride

Structural Information

Molecular Formula
C22H26Cl3N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C22H26Cl3N3O2/c1-16-5-2-3-6-20(16)28-11-9-27(10-12-28)8-4-7-26-22(29)15-30-21-14-18(24)17(23)13-19(21)25/h2-3,5-6,13-14H,4,7-12,15H2,1H3,(H,26,29)
InChIKey
JHASEXXKNOSWTR-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-2-(2,4,5-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.10907 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.11635 207.7
[M+Na]+ 492.09829 213.4
[M-H]- 468.10179 211.4
[M+NH4]+ 487.14289 214.4
[M+K]+ 508.07223 205.8
[M+H-H2O]+ 452.10633 197.5
[M+HCOO]- 514.10727 209.2
[M+CH3COO]- 528.12292 233.6
[M+Na-2H]- 490.08374 204.7
[M]+ 469.10852 210.3
[M]- 469.10962 210.3
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.