CID 135894243

Pyridinium, 4-amino-4'-formyl-1,1'-(oxydimethylene)di-, dichloride, oxime

Structural Information

Molecular Formula
C13H16N4O2
SMILES
C1=CC(=C[N+](=C1)COC[N+]2=CC=C(C=C2)/C=N/O)N
InChI
InChI=1S/C13H15N4O2/c14-13-2-1-5-17(9-13)11-19-10-16-6-3-12(4-7-16)8-15-18/h1-9H,10-11,14H2/q+1/p+1
InChIKey
IDIRTTAQNFQRRD-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(3-aminopyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 159.6
[M+Na]+ 283.11654 166.3
[M-H]- 259.12004 163.8
[M+NH4]+ 278.16114 171.9
[M+K]+ 299.09048 151.3
[M+H-H2O]+ 243.12458 155.3
[M+HCOO]- 305.12552 182.6
[M+CH3COO]- 319.14117 185.5
[M+Na-2H]- 281.10199 171.4
[M]+ 260.12677 157.1
[M]- 260.12787 157.1
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.