CID 135469194

4'-cyclohexylcarbonyl-2-formyl-1,1'-(oxydimethylene)dipyridinium diiodide 2-oxime

Structural Information

Molecular Formula
C20H25N3O3
SMILES
C1CCC(CC1)C(=O)C2=CC=[N+](C=C2)COC[N+]3=CC=CC=C3/C=N/O
InChI
InChI=1S/C20H24N3O3/c24-20(17-6-2-1-3-7-17)18-9-12-22(13-10-18)15-26-16-23-11-5-4-8-19(23)14-21-25/h4-5,8-14,17H,1-3,6-7,15-16H2/q+1/p+1
InChIKey
VDXGTBZXMLRUAU-UHFFFAOYSA-O
Compound name
cyclohexyl-[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 190.7
[M+Na]+ 378.17882 192.7
[M-H]- 354.18232 196.4
[M+NH4]+ 373.22342 198.3
[M+K]+ 394.15276 177.2
[M+H-H2O]+ 338.18686 184.1
[M+HCOO]- 400.18780 207.0
[M+CH3COO]- 414.20345 200.9
[M+Na-2H]- 376.16427 197.3
[M]+ 355.18905 185.2
[M]- 355.19015 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.