CID 24844717

1,1'-(1,5-naphthylenebis(iminocarbonylmethylene))bis(2,3-dimethylpyridinium bromide)

Structural Information

Molecular Formula
C28H30N4O2
SMILES
CC1=C([N+](=CC=C1)CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=CC=CC(=C4C)C)C
InChI
InChI=1S/C28H28N4O2/c1-19-9-7-15-31(21(19)3)17-27(33)29-25-13-5-12-24-23(25)11-6-14-26(24)30-28(34)18-32-16-8-10-20(2)22(32)4/h5-16H,17-18H2,1-4H3/p+2
InChIKey
UFHJLWBTVSTTFY-UHFFFAOYSA-P
Compound name
2-(2,3-dimethylpyridin-1-ium-1-yl)-N-[5-[[2-(2,3-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 221.1
[M+Na]+ 477.22610 225.9
[M-H]- 453.22960 229.1
[M+NH4]+ 472.27070 226.3
[M+K]+ 493.20004 208.1
[M+H-H2O]+ 437.23414 213.5
[M+HCOO]- 499.23508 237.9
[M+CH3COO]- 513.25073 228.5
[M+Na-2H]- 475.21155 226.3
[M]+ 454.23633 220.1
[M]- 454.23743 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.