CID 3053445

2-picolinium, 2-(1-butyl-4-hydroxy-1-methyl-4-piperidiniomethyl)-1-methyl-, diiodide

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCCC[N+]1(CC[N+](CC1)(CC2=CC=CC=C2)OC)C
InChI
InChI=1S/C17H30N2O/c1-4-5-11-18(2)12-14-19(20-3,15-13-18)16-17-9-7-6-8-10-17/h6-10H,4-5,11-16H2,1-3H3/q+2
InChIKey
DLODGSXHQHEQOV-UHFFFAOYSA-N
Compound name
1-benzyl-4-butyl-1-methoxy-4-methylpiperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.243076 168.1
[M+Na]+ 301.225018 172.6
[M-H]- 277.228524 171.3
[M+NH4]+ 296.269623 184.7
[M+K]+ 317.198958 158.6
[M+H-H2O]+ 261.233060 164.8
[M+HCOO]- 323.234001 183.6
[M+CH3COO]- 337.249651 187.8
[M+Na-2H]- 299.210466 177.2
[M]+ 278.23525142 164.1
[M]- 278.23634858 164.1
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.