CID 135543638

Pyridinium, 3'-cyclohexylcarbonyl-2-formyl-1,1'-(oxydimethylene)di-, dichloride, 2-oxime

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

355.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.196876 190.7
[M+Na]+ 378.178818 192.7
[M-H]- 354.182324 196.4
[M+NH4]+ 373.223423 198.3
[M+K]+ 394.152758 177.2
[M+H-H2O]+ 338.186860 184.1
[M+HCOO]- 400.187801 207.0
[M+CH3COO]- 414.203451 200.9
[M+Na-2H]- 376.164266 197.3
[M]+ 355.18905142 185.2
[M]- 355.19014858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.