CID 211117

22317-62-0

Structural Information

Molecular Formula
C23H26NO2
SMILES
CC(C1=CC=CC=C1)C2=CC=C(C=C2)OCCOCC[N+]3=CC=CC=C3
InChI
InChI=1S/C23H26NO2/c1-20(21-8-4-2-5-9-21)22-10-12-23(13-11-22)26-19-18-25-17-16-24-14-6-3-7-15-24/h2-15,20H,16-19H2,1H3/q+1
InChIKey
ZYIHHCOCIWZAME-UHFFFAOYSA-N
Compound name
1-[2-[2-[4-(1-phenylethyl)phenoxy]ethoxy]ethyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.19635 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20363 191.5
[M+Na]+ 371.18557 195.3
[M-H]- 347.18907 198.7
[M+NH4]+ 366.23017 201.7
[M+K]+ 387.15951 184.6
[M+H-H2O]+ 331.19361 182.8
[M+HCOO]- 393.19455 211.4
[M+CH3COO]- 407.21020 206.9
[M+Na-2H]- 369.17102 196.9
[M]+ 348.19580 192.4
[M]- 348.19690 192.4
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.