CID 458509

2-{[2-(2-biphenylyloxy)ethyl]amino}ethanol ethanedioate (salt)

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCCNCCO
InChI
InChI=1S/C16H19NO2/c18-12-10-17-11-13-19-16-9-5-4-8-15(16)14-6-2-1-3-7-14/h1-9,17-18H,10-13H2
InChIKey
PQLBPTYEUQTVJR-UHFFFAOYSA-N
Compound name
2-[2-(2-phenylphenoxy)ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 159.1
[M+Na]+ 280.130788 164.3
[M-H]- 256.134294 163.9
[M+NH4]+ 275.175393 174.6
[M+K]+ 296.104728 160.1
[M+H-H2O]+ 240.138830 151.1
[M+HCOO]- 302.139771 182.8
[M+CH3COO]- 316.155421 195.6
[M+Na-2H]- 278.116236 165.3
[M]+ 257.14102142 159.5
[M]- 257.14211858 159.5
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

No patent data available for this compound.