CID 135903114

Ad 126

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CN(C)C1=C[N+](=CC=C1)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C15H19N4O2/c1-17(2)15-4-3-7-19(11-15)13-21-12-18-8-5-14(6-9-18)10-16-20/h3-11H,12-13H2,1-2H3/q+1/p+1
InChIKey
UZVZKRYIVUSSCS-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[[3-(dimethylamino)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

288.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 164.1
[M+Na]+ 311.14785 180.8
[M+NH4]+ 306.19245 172.9
[M+K]+ 327.12179 175.2
[M-H]- 287.15135 171.6
[M+Na-2H]- 309.13330 174.8
[M]+ 288.15808 169.2
[M]- 288.15918 169.2
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.