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]+ 362.21148 190.7
[M+Na]+ 384.19342 193.7
[M-H]- 360.19692 200.3
[M+NH4]+ 379.23802 202.3
[M+K]+ 400.16736 189.9
[M+H-H2O]+ 344.20146 179.7
[M+HCOO]- 406.20240 213.6
[M+CH3COO]- 420.21805 221.9
[M+Na-2H]- 382.17887 193.3
[M]+ 361.20365 193.3
[M]- 361.20475 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.