CID 3060741

3,4'-diformyl-1,1'-(oxydimethylene)dipyridinium dichloride

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1=CC(=C[N+](=C1)COC[N+]2=CC=C(C=C2)C=O)C=O
InChI
InChI=1S/C14H14N2O3/c17-9-13-3-6-15(7-4-13)11-19-12-16-5-1-2-14(8-16)10-18/h1-10H,11-12H2/q+2
InChIKey
WIORKAUPMZYFLR-UHFFFAOYSA-N
Compound name
1-[(4-formylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 162.4
[M+Na]+ 281.08965 170.6
[M-H]- 257.09315 167.1
[M+NH4]+ 276.13425 175.5
[M+K]+ 297.06359 156.0
[M+H-H2O]+ 241.09769 158.4
[M+HCOO]- 303.09863 183.9
[M+CH3COO]- 317.11428 181.4
[M+Na-2H]- 279.07510 173.3
[M]+ 258.09988 163.3
[M]- 258.10098 163.3
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.