CID 24844719

1,1'-(1,5-naphthylenebis(iminocarbonylmethylene))bis(2,4-dimethylpyridinium bromide)

Structural Information

Molecular Formula
C28H30N4O2
SMILES
CC1=CC(=[N+](C=C1)CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=C(C=C(C=C4)C)C)C
InChI
InChI=1S/C28H28N4O2/c1-19-11-13-31(21(3)15-19)17-27(33)29-25-9-5-8-24-23(25)7-6-10-26(24)30-28(34)18-32-14-12-20(2)16-22(32)4/h5-16H,17-18H2,1-4H3/p+2
InChIKey
ISQDPEDJAZFFLJ-UHFFFAOYSA-P
Compound name
2-(2,4-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,4-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24416 213.0
[M+Na]+ 477.22610 232.2
[M+NH4]+ 472.27070 221.2
[M+K]+ 493.20004 224.3
[M-H]- 453.22960 223.4
[M+Na-2H]- 475.21155 223.5
[M]+ 454.23633 219.5
[M]- 454.23743 219.5
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.