CID 202464

N,n-diethyl-3-(2-(p-chlorobenzyl)phenoxy)propylamine hydriodide

Structural Information

Molecular Formula
C20H26ClNO
SMILES
CCN(CC)CCCOC1=CC=CC=C1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H26ClNO/c1-3-22(4-2)14-7-15-23-20-9-6-5-8-18(20)16-17-10-12-19(21)13-11-17/h5-6,8-13H,3-4,7,14-16H2,1-2H3
InChIKey
FTLRSWSAJNSVNP-UHFFFAOYSA-N
Compound name
3-[2-[(4-chlorophenyl)methyl]phenoxy]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1703 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.177576 181.8
[M+Na]+ 354.159518 187.7
[M-H]- 330.163024 188.8
[M+NH4]+ 349.204123 196.9
[M+K]+ 370.133458 182.3
[M+H-H2O]+ 314.167560 173.5
[M+HCOO]- 376.168501 201.2
[M+CH3COO]- 390.184151 216.1
[M+Na-2H]- 352.144966 184.1
[M]+ 331.16975142 187.9
[M]- 331.17084858 187.9
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.