CID 24844715

1,1'-(1,5-naphthylenebis(iminocarbonylmethylene))bis(pyridinium bromide)

Structural Information

Molecular Formula
C24H22N4O2
SMILES
C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC3=C2C=CC=C3NC(=O)C[N+]4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2/c29-23(17-27-13-3-1-4-14-27)25-21-11-7-10-20-19(21)9-8-12-22(20)26-24(30)18-28-15-5-2-6-16-28/h1-16H,17-18H2/p+2
InChIKey
OVXHCNBZRRFXDQ-UHFFFAOYSA-P
Compound name
2-pyridin-1-ium-1-yl-N-[5-[(2-pyridin-1-ium-1-ylacetyl)amino]naphthalen-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18158 200.1
[M+Na]+ 421.16352 203.2
[M-H]- 397.16702 207.3
[M+NH4]+ 416.20812 206.4
[M+K]+ 437.13746 185.9
[M+H-H2O]+ 381.17156 192.7
[M+HCOO]- 443.17250 218.5
[M+CH3COO]- 457.18815 212.5
[M+Na-2H]- 419.14897 210.3
[M]+ 398.17375 196.3
[M]- 398.17485 196.3
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.