CID 122203

Ru 24926

Structural Information

Molecular Formula
C19H25NO2
SMILES
CCCN(CCC1=CC(=CC=C1)O)CCC2=CC(=CC=C2)O
InChI
InChI=1S/C19H25NO2/c1-2-11-20(12-9-16-5-3-7-18(21)14-16)13-10-17-6-4-8-19(22)15-17/h3-8,14-15,21-22H,2,9-13H2,1H3
InChIKey
RVXNTMVFBHOIKH-UHFFFAOYSA-N
Compound name
3-[2-[2-(3-hydroxyphenyl)ethyl-propylamino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

3
Patents

299.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 173.6
[M+Na]+ 322.177758 178.1
[M-H]- 298.181264 178.3
[M+NH4]+ 317.222363 187.6
[M+K]+ 338.151698 173.8
[M+H-H2O]+ 282.185800 165.2
[M+HCOO]- 344.186741 195.2
[M+CH3COO]- 358.202391 206.6
[M+Na-2H]- 320.163206 176.2
[M]+ 299.18799142 174.8
[M]- 299.18908858 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe