CID 204943

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

Structural Information

Molecular Formula
C20H30N2O2
SMILES
C[N+](C)(C)CC#CCOC1=CC=CC=C1OCC#CC[N+](C)(C)C
InChI
InChI=1S/C20H30N2O2/c1-21(2,3)15-9-11-17-23-19-13-7-8-14-20(19)24-18-12-10-16-22(4,5)6/h7-8,13-14H,15-18H2,1-6H3/q+2
InChIKey
FMFXBLKGPHAJKJ-UHFFFAOYSA-N
Compound name
trimethyl-[4-[2-[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 193.0
[M+Na]+ 353.21996 200.4
[M-H]- 329.22346 196.2
[M+NH4]+ 348.26456 202.4
[M+K]+ 369.19390 189.3
[M+H-H2O]+ 313.22800 181.4
[M+HCOO]- 375.22894 201.5
[M+CH3COO]- 389.24459 224.5
[M+Na-2H]- 351.20541 195.8
[M]+ 330.23019 186.1
[M]- 330.23129 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.