CID 3063897

Morpholinium, 4,4'-(p-phenylenedimethylene)bis(4-ethyl-, dibromide

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CC[N+]1(CCOCC1)CC2=CC=C(C=C2)C[N+]3(CCOCC3)CC
InChI
InChI=1S/C20H34N2O2/c1-3-21(9-13-23-14-10-21)17-19-5-7-20(8-6-19)18-22(4-2)11-15-24-16-12-22/h5-8H,3-4,9-18H2,1-2H3/q+2
InChIKey
LEILSOVTIVUROG-UHFFFAOYSA-N
Compound name
4-ethyl-4-[[4-[(4-ethylmorpholin-4-ium-4-yl)methyl]phenyl]methyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26202 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.269296 184.2
[M+Na]+ 357.251238 185.5
[M-H]- 333.254744 190.2
[M+NH4]+ 352.295843 194.9
[M+K]+ 373.225178 173.3
[M+H-H2O]+ 317.259280 178.3
[M+HCOO]- 379.260221 193.8
[M+CH3COO]- 393.275871 195.9
[M+Na-2H]- 355.236686 192.0
[M]+ 334.26147142 176.7
[M]- 334.26256858 176.7
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.