CID 211298

22820-35-5

Structural Information

Molecular Formula
C20H32Cl2N2O2
SMILES
CCCCN(CCN1CCCCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C20H32Cl2N2O2/c1-2-3-9-24(13-12-23-10-5-4-6-11-23)15-18(25)16-26-20-8-7-17(21)14-19(20)22/h7-8,14,18,25H,2-6,9-13,15-16H2,1H3
InChIKey
NUYPYWYBVSSLFD-UHFFFAOYSA-N
Compound name
1-[butyl(2-piperidin-1-ylethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18408 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.19136 196.5
[M+Na]+ 425.17330 198.8
[M-H]- 401.17680 198.8
[M+NH4]+ 420.21790 206.8
[M+K]+ 441.14724 193.0
[M+H-H2O]+ 385.18134 188.1
[M+HCOO]- 447.18228 203.1
[M+CH3COO]- 461.19793 224.0
[M+Na-2H]- 423.15875 193.9
[M]+ 402.18353 199.0
[M]- 402.18463 199.0
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.