CID 211292

22820-32-2

Structural Information

Molecular Formula
C17H26Cl2N2O2
SMILES
CN(CCN1CCCCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C17H26Cl2N2O2/c1-20(9-10-21-7-3-2-4-8-21)12-15(22)13-23-17-6-5-14(18)11-16(17)19/h5-6,11,15,22H,2-4,7-10,12-13H2,1H3
InChIKey
WTQQYSIWTNUKNS-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)-3-[methyl(2-piperidin-1-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13715 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14443 183.2
[M+Na]+ 383.12637 186.8
[M-H]- 359.12987 186.2
[M+NH4]+ 378.17097 195.2
[M+K]+ 399.10031 181.8
[M+H-H2O]+ 343.13441 175.5
[M+HCOO]- 405.13535 190.8
[M+CH3COO]- 419.15100 215.3
[M+Na-2H]- 381.11182 182.3
[M]+ 360.13660 184.7
[M]- 360.13770 184.7
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.