CID 3063888

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

Structural Information

Molecular Formula
C26H26N4O2
SMILES
CC1=C[N+](=CC=C1)CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=CC=CC(=C4)C
InChI
InChI=1S/C26H24N4O2/c1-19-7-5-13-29(15-19)17-25(31)27-23-11-3-10-22-21(23)9-4-12-24(22)28-26(32)18-30-14-6-8-20(2)16-30/h3-16H,17-18H2,1-2H3/p+2
InChIKey
MMMKQNMQCRQVBX-UHFFFAOYSA-P
Compound name
2-(3-methylpyridin-1-ium-1-yl)-N-[5-[[2-(3-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 202.9
[M+Na]+ 449.19479 221.8
[M+NH4]+ 444.23939 211.4
[M+K]+ 465.16873 214.0
[M-H]- 425.19829 213.1
[M+Na-2H]- 447.18024 214.4
[M]+ 426.20502 209.2
[M]- 426.20612 209.2
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.