CID 3039806

Sad 126a

Structural Information

Molecular Formula
C16H24N4O
SMILES
CN(C)C1=C[N+](=CC=C1)COC[N+]2=CC=CC(=C2)N(C)C
InChI
InChI=1S/C16H24N4O/c1-17(2)15-7-5-9-19(11-15)13-21-14-20-10-6-8-16(12-20)18(3)4/h5-12H,13-14H2,1-4H3/q+2
InChIKey
UVGIGGSRULKDPJ-UHFFFAOYSA-N
Compound name
1-[[3-(dimethylamino)pyridin-1-ium-1-yl]methoxymethyl]-N,N-dimethylpyridin-1-ium-3-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 171.1
[M+Na]+ 311.18422 176.5
[M-H]- 287.18772 178.0
[M+NH4]+ 306.22882 183.8
[M+K]+ 327.15816 164.1
[M+H-H2O]+ 271.19226 165.9
[M+HCOO]- 333.19320 194.2
[M+CH3COO]- 347.20885 201.4
[M+Na-2H]- 309.16967 180.7
[M]+ 288.19445 172.3
[M]- 288.19555 172.3
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.