CID 3061511

N,n-dimethyl-gamma-(2-(phenylmethoxy)phenoxy)benzenepropanamine ethanedioate

Structural Information

Molecular Formula
C24H27NO2
SMILES
CN(C)CCC(C1=CC=CC=C1)OC2=CC=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C24H27NO2/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20/h3-16,22H,17-19H2,1-2H3
InChIKey
DOLQMPKGEINGIB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

361.2042 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.211476 190.7
[M+Na]+ 384.193418 193.7
[M-H]- 360.196924 200.3
[M+NH4]+ 379.238023 202.3
[M+K]+ 400.167358 189.9
[M+H-H2O]+ 344.201460 179.7
[M+HCOO]- 406.202401 213.6
[M+CH3COO]- 420.218051 221.9
[M+Na-2H]- 382.178866 193.3
[M]+ 361.20365142 193.3
[M]- 361.20474858 193.3
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.