CID 135959460

Hj 7

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC(=C[N+](=C1)COC[N+]2=CC=C(C=C2)/C=N/O)/C=N/O
InChI
InChI=1S/C14H14N4O3/c19-15-8-13-3-6-17(7-4-13)11-21-12-18-5-1-2-14(10-18)9-16-20/h1-10H,11-12H2/p+2/b16-9+
InChIKey
DEAFPMPKAOVYED-CXUHLZMHSA-P
Compound name
(NE)-N-[[1-[[3-[(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

0
References

0
Patents

288.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 162.3
[M+Na]+ 311.11147 178.6
[M+NH4]+ 306.15607 170.2
[M+K]+ 327.08541 173.2
[M-H]- 287.11497 168.8
[M+Na-2H]- 309.09692 172.4
[M]+ 288.12170 166.9
[M]- 288.12280 166.9
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.