CID 29761

Ethanol, 2,2'-((3-(p-(phenoxymethyl)phenyl)propyl)imino)di-

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]+ 330.206376 180.9
[M+Na]+ 352.188318 183.8
[M-H]- 328.191824 184.9
[M+NH4]+ 347.232923 193.2
[M+K]+ 368.162258 179.9
[M+H-H2O]+ 312.196360 171.8
[M+HCOO]- 374.197301 202.3
[M+CH3COO]- 388.212951 210.4
[M+Na-2H]- 350.173766 183.7
[M]+ 329.19855142 183.4
[M]- 329.19964858 183.4
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.