CID 1352984

1-methyl-4-((2,4,5-trichlorophenoxy)acetyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H15Cl3N2O2
SMILES
CN1CCN(CC1)C(=O)COC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H15Cl3N2O2/c1-17-2-4-18(5-3-17)13(19)8-20-12-7-10(15)9(14)6-11(12)16/h6-7H,2-5,8H2,1H3
InChIKey
BRIYCJUKJVUICP-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0199 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02718 169.1
[M+Na]+ 359.00912 177.4
[M-H]- 335.01262 170.7
[M+NH4]+ 354.05372 181.7
[M+K]+ 374.98306 171.8
[M+H-H2O]+ 319.01716 162.0
[M+HCOO]- 381.01810 171.3
[M+CH3COO]- 395.03375 206.5
[M+Na-2H]- 356.99457 168.6
[M]+ 336.01935 170.7
[M]- 336.02045 170.7
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.