CID 211276

22820-23-1

Structural Information

Molecular Formula
C20H33ClN2O2
SMILES
CCCCN(CCN1CCCCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C20H33ClN2O2/c1-2-3-11-23(15-14-22-12-7-4-8-13-22)16-18(24)17-25-20-10-6-5-9-19(20)21/h5-6,9-10,18,24H,2-4,7-8,11-17H2,1H3
InChIKey
KAJPTYSGJAFZBP-UHFFFAOYSA-N
Compound name
1-[butyl(2-piperidin-1-ylethyl)amino]-3-(2-chlorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22305 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23033 191.7
[M+Na]+ 391.21227 192.6
[M-H]- 367.21577 194.3
[M+NH4]+ 386.25687 202.5
[M+K]+ 407.18621 188.0
[M+H-H2O]+ 351.22031 182.4
[M+HCOO]- 413.22125 203.2
[M+CH3COO]- 427.23690 218.9
[M+Na-2H]- 389.19772 190.5
[M]+ 368.22250 192.5
[M]- 368.22360 192.5
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.