CID 135925450

Bis(4-hydroxyiminomethylpyridinium(1)-methyl)-1,4-cyclohexandiol-aether dichlorid [german]

Structural Information

Molecular Formula
C20H26N4O4
SMILES
C1C(CCC(C1)OC[N+]2=CC=C(C=C2)/C=N/O)OC[N+]3=CC=C(C=C3)/C=N/O
InChI
InChI=1S/C20H24N4O4/c25-21-13-17-5-9-23(10-6-17)15-27-19-1-2-20(4-3-19)28-16-24-11-7-18(8-12-24)14-22-26/h5-14,19-20H,1-4,15-16H2/p+2
InChIKey
OVBZLLSOLKYJBH-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[4-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxy]cyclohexyl]oxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 190.2
[M+Na]+ 409.18462 205.1
[M+NH4]+ 404.22922 197.4
[M+K]+ 425.15856 199.2
[M-H]- 385.18812 198.2
[M+Na-2H]- 407.17007 199.4
[M]+ 386.19485 194.9
[M]- 386.19595 194.9
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.