CID 135441199

1,1'-tetramethylenebis(4-formylpyridinium) dibromide dioxime

Structural Information

Molecular Formula
C16H20N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)CCCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C16H18N4O2/c21-17-13-15-3-9-19(10-4-15)7-1-2-8-20-11-5-16(6-12-20)14-18-22/h3-6,9-14H,1-2,7-8H2/p+2
InChIKey
RFPSJUSVLSGQIB-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[4-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 172.5
[M+Na]+ 323.14785 178.1
[M-H]- 299.15135 176.6
[M+NH4]+ 318.19245 183.3
[M+K]+ 339.12179 162.3
[M+H-H2O]+ 283.15589 167.6
[M+HCOO]- 345.15683 195.2
[M+CH3COO]- 359.17248 193.3
[M+Na-2H]- 321.13330 183.7
[M]+ 300.15808 171.2
[M]- 300.15918 171.2
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.