CID 3061513

N-methyl-3-(2-benzyloxyphenoxy)-3-phenylpropylamine hydrochloride

Structural Information

Molecular Formula
C23H25NO2
SMILES
CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C23H25NO2/c1-24-17-16-21(20-12-6-3-7-13-20)26-23-15-9-8-14-22(23)25-18-19-10-4-2-5-11-19/h2-15,21,24H,16-18H2,1H3
InChIKey
FNIIROHYAHDCRK-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 185.3
[M+Na]+ 370.17776 188.7
[M-H]- 346.18126 193.7
[M+NH4]+ 365.22236 197.0
[M+K]+ 386.15170 183.7
[M+H-H2O]+ 330.18580 174.8
[M+HCOO]- 392.18674 208.2
[M+CH3COO]- 406.20239 215.7
[M+Na-2H]- 368.16321 189.4
[M]+ 347.18799 186.4
[M]- 347.18909 186.4
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

patents stripe