CID 135959305

Pyridinium, 1,1'-(methyliminodiethylene)bis(4-formyl-, dichloride, dioxime

Structural Information

Molecular Formula
C17H23N5O2
SMILES
CN(CC[N+]1=CC=C(C=C1)/C=N/O)CC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C17H21N5O2/c1-20(10-12-21-6-2-16(3-7-21)14-18-23)11-13-22-8-4-17(5-9-22)15-19-24/h2-9,14-15H,10-13H2,1H3/p+2
InChIKey
ZQKUSUJVSBGVNN-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[2-[2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethyl-methylamino]ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.18518 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19246 175.2
[M+Na]+ 352.17440 190.2
[M+NH4]+ 347.21900 182.8
[M+K]+ 368.14834 184.5
[M-H]- 328.17790 182.5
[M+Na-2H]- 350.15985 184.9
[M]+ 329.18463 179.8
[M]- 329.18573 179.8
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.