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 161.0
[M+Na]+ 281.13729 167.5
[M-H]- 257.14079 165.1
[M+NH4]+ 276.18189 173.5
[M+K]+ 297.11123 151.8
[M+H-H2O]+ 241.14533 156.9
[M+HCOO]- 303.14627 183.5
[M+CH3COO]- 317.16192 186.4
[M+Na-2H]- 279.12274 172.3
[M]+ 258.14752 157.7
[M]- 258.14862 157.7
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.