CID 423869

3,4-bis(benzyloxy)phenethylamine hydrochloride

Structural Information

Molecular Formula
C22H23NO2
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCN)OCC3=CC=CC=C3
InChI
InChI=1S/C22H23NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-17,23H2
InChIKey
JXPQMHIXNPWEEK-UHFFFAOYSA-N
Compound name
2-[3,4-bis(phenylmethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

283
Patents

333.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 181.2
[M+Na]+ 356.162098 186.4
[M-H]- 332.165604 189.7
[M+NH4]+ 351.206703 193.7
[M+K]+ 372.136038 180.8
[M+H-H2O]+ 316.170140 171.1
[M+HCOO]- 378.171081 204.8
[M+CH3COO]- 392.186731 212.5
[M+Na-2H]- 354.147546 185.3
[M]+ 333.17233142 182.1
[M]- 333.17342858 182.1
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