CID 204945

Ammonium, (o-phenylenebis(oxy-2-butynylene))bis(diethylmethyl-, diiodide

Structural Information

Molecular Formula
C24H38N2O2
SMILES
CC[N+](C)(CC)CC#CCOC1=CC=CC=C1OCC#CC[N+](C)(CC)CC
InChI
InChI=1S/C24H38N2O2/c1-7-25(5,8-2)19-13-15-21-27-23-17-11-12-18-24(23)28-22-16-14-20-26(6,9-3)10-4/h11-12,17-18H,7-10,19-22H2,1-6H3/q+2
InChIKey
RJHFOJRGISKPPT-UHFFFAOYSA-N
Compound name
4-[2-[4-[diethyl(methyl)azaniumyl]but-2-ynoxy]phenoxy]but-2-ynyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.29333 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.30061 203.8
[M+Na]+ 409.28255 210.2
[M-H]- 385.28605 206.6
[M+NH4]+ 404.32715 211.8
[M+K]+ 425.25649 198.4
[M+H-H2O]+ 369.29059 191.8
[M+HCOO]- 431.29153 211.5
[M+CH3COO]- 445.30718 232.0
[M+Na-2H]- 407.26800 205.4
[M]+ 386.29278 197.9
[M]- 386.29388 197.9
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.