CID 24844721

1,1'-(1,5-naphthylenebis(iminocarbonylmethylene))bis(2,6-dimethylpyridinium bromide)

Structural Information

Molecular Formula
C28H30N4O2
SMILES
CC1=[N+](C(=CC=C1)C)CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=C(C=CC=C4C)C
InChI
InChI=1S/C28H28N4O2/c1-19-9-5-10-20(2)31(19)17-27(33)29-25-15-7-14-24-23(25)13-8-16-26(24)30-28(34)18-32-21(3)11-6-12-22(32)4/h5-16H,17-18H2,1-4H3/p+2
InChIKey
HMNMXMGZUABEDG-UHFFFAOYSA-P
Compound name
2-(2,6-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,6-dimethylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.23688 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.244156 221.1
[M+Na]+ 477.226098 225.9
[M-H]- 453.229604 229.1
[M+NH4]+ 472.270703 226.3
[M+K]+ 493.200038 208.1
[M+H-H2O]+ 437.234140 213.5
[M+HCOO]- 499.235081 237.9
[M+CH3COO]- 513.250731 228.5
[M+Na-2H]- 475.211546 226.3
[M]+ 454.23633142 220.1
[M]- 454.23742858 220.1
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.