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]+ 261.134596 159.6
[M+Na]+ 283.116538 166.3
[M-H]- 259.120044 163.8
[M+NH4]+ 278.161143 171.9
[M+K]+ 299.090478 151.3
[M+H-H2O]+ 243.124580 155.3
[M+HCOO]- 305.125521 182.6
[M+CH3COO]- 319.141171 185.5
[M+Na-2H]- 281.101986 171.4
[M]+ 260.12677142 157.1
[M]- 260.12786858 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.