CID 3087371

N,n-diethyl-2-(p-phenethylphenoxy)propylamine

Structural Information

Molecular Formula
C21H29NO
SMILES
CCN(CC)CC(C)OC1=CC=C(C=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C21H29NO/c1-4-22(5-2)17-18(3)23-21-15-13-20(14-16-21)12-11-19-9-7-6-8-10-19/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3
InChIKey
IIBUENHBHRGOND-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[4-(2-phenylethyl)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 180.0
[M+Na]+ 334.214118 183.4
[M-H]- 310.217624 186.7
[M+NH4]+ 329.258723 194.6
[M+K]+ 350.188058 180.2
[M+H-H2O]+ 294.222160 170.8
[M+HCOO]- 356.223101 202.7
[M+CH3COO]- 370.238751 215.2
[M+Na-2H]- 332.199566 181.8
[M]+ 311.22435142 183.2
[M]- 311.22544858 183.2
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.