CID 29761

19733-84-7

Structural Information

Molecular Formula
C20H27NO3
SMILES
C1=CC=C(C=C1)OCC2=CC=C(C=C2)CCCN(CCO)CCO
InChI
InChI=1S/C20H27NO3/c22-15-13-21(14-16-23)12-4-5-18-8-10-19(11-9-18)17-24-20-6-2-1-3-7-20/h1-3,6-11,22-23H,4-5,12-17H2
InChIKey
JCTQHLAPAKSNOD-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 182.5
[M+Na]+ 352.18832 193.9
[M+NH4]+ 347.23292 189.3
[M+K]+ 368.16226 185.9
[M-H]- 328.19182 186.4
[M+Na-2H]- 350.17377 189.6
[M]+ 329.19855 185.1
[M]- 329.19965 185.1
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.