CID 3063940

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

Structural Information

Molecular Formula
C28H34N2O2
SMILES
C1COCC[N+]1(CC2=CC=C(C=C2)C[N+]3(CCOCC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H34N2O2/c1-3-7-27(8-4-1)29(15-19-31-20-16-29)23-25-11-13-26(14-12-25)24-30(17-21-32-22-18-30)28-9-5-2-6-10-28/h1-14H,15-24H2/q+2
InChIKey
IHWVZUXLTBZVKR-UHFFFAOYSA-N
Compound name
4-phenyl-4-[[4-[(4-phenylmorpholin-4-ium-4-yl)methyl]phenyl]methyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.26202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.269296 214.7
[M+Na]+ 453.251238 214.5
[M-H]- 429.254744 225.4
[M+NH4]+ 448.295843 219.5
[M+K]+ 469.225178 199.7
[M+H-H2O]+ 413.259280 203.6
[M+HCOO]- 475.260221 223.2
[M+CH3COO]- 489.275871 212.0
[M+Na-2H]- 451.236686 220.5
[M]+ 430.26147142 204.0
[M]- 430.26256858 204.0
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.