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]+ 331.23802 191.5
[M+Na]+ 353.21996 201.2
[M+NH4]+ 348.26456 192.7
[M+K]+ 369.19390 191.1
[M-H]- 329.22346 183.2
[M+Na-2H]- 351.20541 191.0
[M]+ 330.23019 189.9
[M]- 330.23129 189.9
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.