CID 24833528

Ammonium, (2-hydroxytrimethylene)bis(oxy-o-phenylene)bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C21H32N2O3
SMILES
C[N+](C)(C)C1=CC=CC=C1OCC(COC2=CC=CC=C2[N+](C)(C)C)O
InChI
InChI=1S/C21H32N2O3/c1-22(2,3)18-11-7-9-13-20(18)25-15-17(24)16-26-21-14-10-8-12-19(21)23(4,5)6/h7-14,17,24H,15-16H2,1-6H3/q+2
InChIKey
NJKYJTABCFZHFX-UHFFFAOYSA-N
Compound name
[2-[2-hydroxy-3-[2-(trimethylazaniumyl)phenoxy]propoxy]phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.248576 186.4
[M+Na]+ 383.230518 190.0
[M-H]- 359.234024 194.2
[M+NH4]+ 378.275123 198.8
[M+K]+ 399.204458 177.3
[M+H-H2O]+ 343.238560 183.5
[M+HCOO]- 405.239501 206.9
[M+CH3COO]- 419.255151 212.1
[M+Na-2H]- 381.215966 196.3
[M]+ 360.24075142 188.1
[M]- 360.24184858 188.1
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.