CID 25342

(1-(4-ethoxyphenyl)butyl)diethylammonium chloride

Structural Information

Molecular Formula
C22H31NO
SMILES
CCN(CC)C(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C22H31NO/c1-5-23(6-2)22(17-18(4)19-11-9-8-10-12-19)20-13-15-21(16-14-20)24-7-3/h8-16,18,22H,5-7,17H2,1-4H3
InChIKey
FCLYRXWNSYOOPG-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-N,N-diethyl-3-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 184.1
[M+Na]+ 348.22979 196.5
[M+NH4]+ 343.27439 192.3
[M+K]+ 364.20373 188.0
[M-H]- 324.23329 189.6
[M+Na-2H]- 346.21524 192.2
[M]+ 325.24002 187.5
[M]- 325.24112 187.5
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.