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]+ 335.26930 184.2
[M+Na]+ 357.25124 185.5
[M-H]- 333.25474 190.2
[M+NH4]+ 352.29584 194.9
[M+K]+ 373.22518 173.3
[M+H-H2O]+ 317.25928 178.3
[M+HCOO]- 379.26022 193.8
[M+CH3COO]- 393.27587 195.9
[M+Na-2H]- 355.23669 192.0
[M]+ 334.26147 176.7
[M]- 334.26257 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.