CID 3063976

2-picolinium, 1,1'-(1,5-naphthylenebis(iminocarbonylmethylene))bis-, dibromide

Structural Information

Molecular Formula
C26H26N4O2
SMILES
CC1=CC=CC=[N+]1CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=CC=CC=C4C
InChI
InChI=1S/C26H24N4O2/c1-19-9-3-5-15-29(19)17-25(31)27-23-13-7-12-22-21(23)11-8-14-24(22)28-26(32)18-30-16-6-4-10-20(30)2/h3-16H,17-18H2,1-2H3/p+2
InChIKey
VGRARMLIHWJYQM-UHFFFAOYSA-P
Compound name
2-(2-methylpyridin-1-ium-1-yl)-N-[5-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.20557 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.212846 210.8
[M+Na]+ 449.194788 214.8
[M-H]- 425.198294 218.4
[M+NH4]+ 444.239393 216.5
[M+K]+ 465.168728 197.1
[M+H-H2O]+ 409.202830 203.3
[M+HCOO]- 471.203771 228.4
[M+CH3COO]- 485.219421 220.5
[M+Na-2H]- 447.180236 218.5
[M]+ 426.20502142 208.4
[M]- 426.20611858 208.4
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.