CID 21539

5424-18-0

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]+ 311.26930 175.2
[M+Na]+ 333.25124 179.3
[M-H]- 309.25474 181.0
[M+NH4]+ 328.29584 190.9
[M+K]+ 349.22518 167.5
[M+H-H2O]+ 293.25928 173.5
[M+HCOO]- 355.26022 197.8
[M+CH3COO]- 369.27587 206.9
[M+Na-2H]- 331.23669 186.1
[M]+ 310.26147 179.3
[M]- 310.26257 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.