CID 3039804

Sad 126

Structural Information

Molecular Formula
C16H24N4O
SMILES
CN(C)C1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H24N4O/c1-17(2)15-5-9-19(10-6-15)13-21-14-20-11-7-16(8-12-20)18(3)4/h5-12H,13-14H2,1-4H3/q+2
InChIKey
NASPDMXRXVFTRH-UHFFFAOYSA-N
Compound name
1-[[4-(dimethylamino)pyridin-1-ium-1-yl]methoxymethyl]-N,N-dimethylpyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20228 165.8
[M+Na]+ 311.18422 183.0
[M+NH4]+ 306.22882 175.6
[M+K]+ 327.15816 177.2
[M-H]- 287.18772 174.3
[M+Na-2H]- 309.16967 177.1
[M]+ 288.19445 171.4
[M]- 288.19555 171.4
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.