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]+ 431.26930 214.7
[M+Na]+ 453.25124 214.5
[M-H]- 429.25474 225.4
[M+NH4]+ 448.29584 219.5
[M+K]+ 469.22518 199.7
[M+H-H2O]+ 413.25928 203.6
[M+HCOO]- 475.26022 223.2
[M+CH3COO]- 489.27587 212.0
[M+Na-2H]- 451.23669 220.5
[M]+ 430.26147 204.0
[M]- 430.26257 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.