CID 71812

Clofenetamine

Structural Information

Molecular Formula
C20H26ClNO
SMILES
CCN(CC)CCOC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H26ClNO/c1-4-22(5-2)15-16-23-20(3,17-9-7-6-8-10-17)18-11-13-19(21)14-12-18/h6-14H,4-5,15-16H2,1-3H3
InChIKey
IKFQEQVEOQNTRJ-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

331.1703 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17758 182.5
[M+Na]+ 354.15952 196.6
[M+NH4]+ 349.20412 191.3
[M+K]+ 370.13346 187.2
[M-H]- 330.16302 187.9
[M+Na-2H]- 352.14497 191.8
[M]+ 331.16975 186.6
[M]- 331.17085 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe