CID 211274

22820-22-0

Structural Information

Molecular Formula
C19H31ClN2O2
SMILES
CCCN(CCN1CCCCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C19H31ClN2O2/c1-2-10-22(14-13-21-11-6-3-7-12-21)15-17(23)16-24-19-9-5-4-8-18(19)20/h4-5,8-9,17,23H,2-3,6-7,10-16H2,1H3
InChIKey
ZMMZWTNHBACBBY-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-3-[2-piperidin-1-ylethyl(propyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2074 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21468 187.1
[M+Na]+ 377.19662 197.2
[M+NH4]+ 372.24122 194.2
[M+K]+ 393.17056 189.5
[M-H]- 353.20012 190.4
[M+Na-2H]- 375.18207 192.2
[M]+ 354.20685 189.5
[M]- 354.20795 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.