CID 200382

Phenethylamine, 4-(benzyloxy)-3-methoxy-

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=C(C=CC(=C1)CCN)OCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,17H2,1H3
InChIKey
GLMWLELOJCRYRI-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

205
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 159.8
[M+Na]+ 280.13079 166.5
[M-H]- 256.13429 165.9
[M+NH4]+ 275.17539 176.2
[M+K]+ 296.10473 162.8
[M+H-H2O]+ 240.13883 151.7
[M+HCOO]- 302.13977 184.4
[M+CH3COO]- 316.15542 198.6
[M+Na-2H]- 278.11624 164.7
[M]+ 257.14102 161.5
[M]- 257.14212 161.5
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

patents stripe