CID 55546

86746-04-5

Structural Information

Molecular Formula
C16H22Cl3N3O2
SMILES
CN1CCN(CC1)CCCNC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H22Cl3N3O2/c1-21-5-7-22(8-6-21)4-2-3-20-16(23)11-24-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3,(H,20,23)
InChIKey
KORSBXNUFCHKFO-UHFFFAOYSA-N
Compound name
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(2,4,5-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.07776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.08504 187.1
[M+Na]+ 416.06698 193.4
[M-H]- 392.07048 188.2
[M+NH4]+ 411.11158 197.2
[M+K]+ 432.04092 187.0
[M+H-H2O]+ 376.07502 179.2
[M+HCOO]- 438.07596 189.4
[M+CH3COO]- 452.09161 219.6
[M+Na-2H]- 414.05243 185.5
[M]+ 393.07721 189.3
[M]- 393.07831 189.3
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

patents stripe