CID 204953

Ammonium, (p-phenylenebis(oxy-2-butynylene))bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C20H30N2O2
SMILES
C[N+](C)(C)CC#CCOC1=CC=C(C=C1)OCC#CC[N+](C)(C)C
InChI
InChI=1S/C20H30N2O2/c1-21(2,3)15-7-9-17-23-19-11-13-20(14-12-19)24-18-10-8-16-22(4,5)6/h11-14H,15-18H2,1-6H3/q+2
InChIKey
HYGKGGIDHDARBI-UHFFFAOYSA-N
Compound name
trimethyl-[4-[4-[4-(trimethylazaniumyl)but-2-ynoxy]phenoxy]but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 193.0
[M+Na]+ 353.219958 200.4
[M-H]- 329.223464 196.2
[M+NH4]+ 348.264563 202.4
[M+K]+ 369.193898 189.3
[M+H-H2O]+ 313.228000 181.4
[M+HCOO]- 375.228941 201.5
[M+CH3COO]- 389.244591 224.5
[M+Na-2H]- 351.205406 195.8
[M]+ 330.23019142 186.1
[M]- 330.23128858 186.1
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.