CID 135878483

Pro 462

Structural Information

Molecular Formula
C20H28N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)CCCCCCCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C20H26N4O2/c25-21-17-19-7-13-23(14-8-19)11-5-3-1-2-4-6-12-24-15-9-20(10-16-24)18-22-26/h7-10,13-18H,1-6,11-12H2/p+2
InChIKey
UFKCACZNMZQGHD-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[8-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.22122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 186.2
[M+Na]+ 379.21044 201.7
[M+NH4]+ 374.25504 193.7
[M+K]+ 395.18438 194.3
[M-H]- 355.21394 192.9
[M+Na-2H]- 377.19589 195.1
[M]+ 356.22067 190.8
[M]- 356.22177 190.8
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.