CID 211296

22820-34-4

Structural Information

Molecular Formula
C19H30Cl2N2O2
SMILES
CC(C)N(CCN1CCCCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C19H30Cl2N2O2/c1-15(2)23(11-10-22-8-4-3-5-9-22)13-17(24)14-25-19-7-6-16(20)12-18(19)21/h6-7,12,15,17,24H,3-5,8-11,13-14H2,1-2H3
InChIKey
JRKLWEAGUVCSGP-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)-3-[2-piperidin-1-ylethyl(propan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16843 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17571 191.4
[M+Na]+ 411.15765 194.0
[M-H]- 387.16115 194.2
[M+NH4]+ 406.20225 202.3
[M+K]+ 427.13159 189.0
[M+H-H2O]+ 371.16569 183.6
[M+HCOO]- 433.16663 197.5
[M+CH3COO]- 447.18228 222.0
[M+Na-2H]- 409.14310 188.4
[M]+ 388.16788 193.2
[M]- 388.16898 193.2
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.