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]+ 399.181576 200.1
[M+Na]+ 421.163518 203.2
[M-H]- 397.167024 207.3
[M+NH4]+ 416.208123 206.4
[M+K]+ 437.137458 185.9
[M+H-H2O]+ 381.171560 192.7
[M+HCOO]- 443.172501 218.5
[M+CH3COO]- 457.188151 212.5
[M+Na-2H]- 419.148966 210.3
[M]+ 398.17375142 196.3
[M]- 398.17484858 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.