CID 211294

22820-33-3

Structural Information

Molecular Formula
C18H28Cl2N2O2
SMILES
CCN(CCN1CCCCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C18H28Cl2N2O2/c1-2-21(10-11-22-8-4-3-5-9-22)13-16(23)14-24-18-7-6-15(19)12-17(18)20/h6-7,12,16,23H,2-5,8-11,13-14H2,1H3
InChIKey
TWMOHISHMOLRAK-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)-3-[ethyl(2-piperidin-1-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15277 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16005 187.6
[M+Na]+ 397.14199 190.8
[M-H]- 373.14549 190.4
[M+NH4]+ 392.18659 199.1
[M+K]+ 413.11593 185.6
[M+H-H2O]+ 357.15003 179.7
[M+HCOO]- 419.15097 194.9
[M+CH3COO]- 433.16662 218.2
[M+Na-2H]- 395.12744 186.2
[M]+ 374.15222 189.5
[M]- 374.15332 189.5
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.