CID 135959368

Ad 123

Structural Information

Molecular Formula
C14H18N4O
SMILES
C1=C[N+](=CC=C1/C=N/O)CCC[N+]2=CC=C(C=C2)N
InChI
InChI=1S/C14H16N4O/c15-14-4-10-18(11-5-14)7-1-6-17-8-2-13(3-9-17)12-16-19/h2-5,8-12,15H,1,6-7H2/p+2
InChIKey
ZUIWPUVURXAQKC-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[3-(4-aminopyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.14807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 156.5
[M+Na]+ 281.13729 173.4
[M+NH4]+ 276.18189 165.6
[M+K]+ 297.11123 167.2
[M-H]- 257.14079 164.0
[M+Na-2H]- 279.12274 167.2
[M]+ 258.14752 161.6
[M]- 258.14862 161.6
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.