CID 458509

2-[2-(2-phenylphenoxy)ethylamino]ethanol

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]+ 258.14885 159.1
[M+Na]+ 280.13079 164.3
[M-H]- 256.13429 163.9
[M+NH4]+ 275.17539 174.6
[M+K]+ 296.10473 160.1
[M+H-H2O]+ 240.13883 151.1
[M+HCOO]- 302.13977 182.8
[M+CH3COO]- 316.15542 195.6
[M+Na-2H]- 278.11624 165.3
[M]+ 257.14102 159.5
[M]- 257.14212 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.