CID 135457392

25487-36-9

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H14N4O3/c19-15-9-13-4-7-17(8-5-13)11-21-12-18-6-2-1-3-14(18)10-16-20/h1-10H,11-12H2/p+2
InChIKey
OYBWHPGQBDFTQZ-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

183
Patents

288.12225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.129526 166.3
[M+Na]+ 311.111468 172.6
[M-H]- 287.114974 170.8
[M+NH4]+ 306.156073 177.5
[M+K]+ 327.085408 157.8
[M+H-H2O]+ 271.119510 161.5
[M+HCOO]- 333.120451 189.9
[M+CH3COO]- 347.136101 189.4
[M+Na-2H]- 309.096916 178.7
[M]+ 288.12170142 165.6
[M]- 288.12279858 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.