CID 3040305

4-(2-(2,2-diphenylethoxy)ethyl)-4-methyl-morpholinium iodide

Structural Information

Molecular Formula
C21H28NO2
SMILES
C[N+]1(CCOCC1)CCOCC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28NO2/c1-22(12-15-23-16-13-22)14-17-24-18-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3/q+1
InChIKey
CZDMMXANPGRAKZ-UHFFFAOYSA-N
Compound name
4-[2-(2,2-diphenylethoxy)ethyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21928 180.3
[M+Na]+ 349.20122 196.3
[M+NH4]+ 344.24582 191.4
[M+K]+ 365.17516 185.9
[M-H]- 325.20472 189.6
[M+Na-2H]- 347.18667 192.0
[M]+ 326.21145 186.0
[M]- 326.21255 186.0
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.