CID 21539

7grk76n7sx

Structural Information

Molecular Formula
C18H34N2O2
SMILES
CC[N+](C)(C)CCOC1=CC=C(C=C1)OCC[N+](C)(C)CC
InChI
InChI=1S/C18H34N2O2/c1-7-19(3,4)13-15-21-17-9-11-18(12-10-17)22-16-14-20(5,6)8-2/h9-12H,7-8,13-16H2,1-6H3/q+2
InChIKey
RKYDCIRNULMJAS-UHFFFAOYSA-N
Compound name
ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]phenoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.26202 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.269296 175.2
[M+Na]+ 333.251238 179.3
[M-H]- 309.254744 181.0
[M+NH4]+ 328.295843 190.9
[M+K]+ 349.225178 167.5
[M+H-H2O]+ 293.259280 173.5
[M+HCOO]- 355.260221 197.8
[M+CH3COO]- 369.275871 206.9
[M+Na-2H]- 331.236686 186.1
[M]+ 310.26147142 179.3
[M]- 310.26256858 179.3
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.