CID 202474

Phenol, 4-(2-((2-(2-benzylphenoxy)ethyl)amino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H25NO2
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2OCCNCCC3=CC=C(C=C3)O
InChI
InChI=1S/C23H25NO2/c25-22-12-10-19(11-13-22)14-15-24-16-17-26-23-9-5-4-8-21(23)18-20-6-2-1-3-7-20/h1-13,24-25H,14-18H2
InChIKey
UPACXXNMJIFGLE-UHFFFAOYSA-N
Compound name
4-[2-[2-(2-benzylphenoxy)ethylamino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 184.7
[M+Na]+ 370.17776 188.9
[M-H]- 346.18126 192.0
[M+NH4]+ 365.22236 196.1
[M+K]+ 386.15170 182.6
[M+H-H2O]+ 330.18580 174.6
[M+HCOO]- 392.18674 207.1
[M+CH3COO]- 406.20239 213.6
[M+Na-2H]- 368.16321 188.9
[M]+ 347.18799 185.0
[M]- 347.18909 185.0
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.