CID 5824382

Stilonium iodide

Structural Information

Molecular Formula
C22H30NO
SMILES
CC[N+](CC)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
InChIKey
YIMFXBPXUPTIEJ-OUKQBFOZSA-N
Compound name
triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

957
Patents

324.23273 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.24001 183.6
[M+Na]+ 347.22195 187.7
[M-H]- 323.22545 190.6
[M+NH4]+ 342.26655 197.9
[M+K]+ 363.19589 177.3
[M+H-H2O]+ 307.22999 177.5
[M+HCOO]- 369.23093 206.0
[M+CH3COO]- 383.24658 208.9
[M+Na-2H]- 345.20740 190.2
[M]+ 324.23218 185.4
[M]- 324.23328 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe