CID 135533098

Pyridinium, 1,1'-hexamethylenebis(2-formyl-, dibromide, dioxime

Structural Information

Molecular Formula
C18H24N4O2
SMILES
C1=CC=[N+](C(=C1)/C=N/O)CCCCCC[N+]2=CC=CC=C2/C=N/O
InChI
InChI=1S/C18H22N4O2/c23-19-15-17-9-3-7-13-21(17)11-5-1-2-6-12-22-14-8-4-10-18(22)16-20-24/h3-4,7-10,13-16H,1-2,5-6,11-12H2/p+2
InChIKey
AZBNAGGNLZHEDV-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[6-[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1899 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.197176 181.5
[M+Na]+ 351.179118 186.2
[M-H]- 327.182624 185.3
[M+NH4]+ 346.223723 191.2
[M+K]+ 367.153058 170.0
[M+H-H2O]+ 311.187160 176.2
[M+HCOO]- 373.188101 203.5
[M+CH3COO]- 387.203751 199.3
[M+Na-2H]- 349.164566 191.7
[M]+ 328.18935142 180.8
[M]- 328.19044858 180.8
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.