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 183.1
[M+Na]+ 349.20122 185.1
[M-H]- 325.20472 190.2
[M+NH4]+ 344.24582 194.8
[M+K]+ 365.17516 176.5
[M+H-H2O]+ 309.20926 175.1
[M+HCOO]- 371.21020 198.6
[M+CH3COO]- 385.22585 200.4
[M+Na-2H]- 347.18667 189.0
[M]+ 326.21145 179.3
[M]- 326.21255 179.3
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.