CID 202056

1-(1-((2-benzylphenoxy)methyl)ethyl)-1-propylpiperidinium hydrogen sulfate

Structural Information

Molecular Formula
C24H34NO
SMILES
CCC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C24H34NO/c1-3-16-25(17-10-5-11-18-25)21(2)20-26-24-15-9-8-14-23(24)19-22-12-6-4-7-13-22/h4,6-9,12-15,21H,3,5,10-11,16-20H2,1-2H3/q+1
InChIKey
ASVODJORHOXGRM-UHFFFAOYSA-N
Compound name
1-[1-(2-benzylphenoxy)propan-2-yl]-1-propylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.26404 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27132 193.2
[M+Na]+ 375.25326 194.7
[M-H]- 351.25676 199.4
[M+NH4]+ 370.29786 205.4
[M+K]+ 391.22720 183.8
[M+H-H2O]+ 335.26130 184.9
[M+HCOO]- 397.26224 208.3
[M+CH3COO]- 411.27789 208.3
[M+Na-2H]- 373.23871 196.0
[M]+ 352.26349 188.7
[M]- 352.26459 188.7
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.