CID 135533098

1,1'-hexamethylenebis(2-formylpyridinium bromide oxime)

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]+ 329.19718 177.2
[M+Na]+ 351.17912 193.1
[M+NH4]+ 346.22372 185.0
[M+K]+ 367.15306 186.2
[M-H]- 327.18262 184.0
[M+Na-2H]- 349.16457 186.7
[M]+ 328.18935 181.9
[M]- 328.19045 181.9
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.