CID 3048431

1,1'-(4,4'-biphenylenebis(2-oxoethylene)bispyridinium) dibromide

Structural Information

Molecular Formula
C26H22N2O2
SMILES
C1=CC=[N+](C=C1)C(=O)CC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[N+]4=CC=CC=C4
InChI
InChI=1S/C26H22N2O2/c29-25(27-15-3-1-4-16-27)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26(30)28-17-5-2-6-18-28/h1-18H,19-20H2/q+2
InChIKey
VXQQUTGVBDAIPN-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-oxo-2-pyridin-1-ium-1-ylethyl)phenyl]phenyl]-1-pyridin-1-ium-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 195.7
[M+Na]+ 417.15734 217.2
[M+NH4]+ 412.20194 205.1
[M+K]+ 433.13128 208.2
[M-H]- 393.16084 206.8
[M+Na-2H]- 415.14279 210.8
[M]+ 394.16757 202.9
[M]- 394.16867 202.9
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.