CID 21340

5265-98-5

Structural Information

Molecular Formula
C22H42N2O2
SMILES
CC[N+](CC)(CC)CCOC1=CC=C(C=C1)OCC[N+](CC)(CC)CC
InChI
InChI=1S/C22H42N2O2/c1-7-23(8-2,9-3)17-19-25-21-13-15-22(16-14-21)26-20-18-24(10-4,11-5)12-6/h13-16H,7-12,17-20H2,1-6H3/q+2
InChIKey
NHYPXCGCMXIUET-UHFFFAOYSA-N
Compound name
triethyl-[2-[4-[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.32462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.33190 194.2
[M+Na]+ 389.31384 196.5
[M-H]- 365.31734 199.2
[M+NH4]+ 384.35844 207.5
[M+K]+ 405.28778 183.8
[M+H-H2O]+ 349.32188 191.6
[M+HCOO]- 411.32282 215.3
[M+CH3COO]- 425.33847 218.7
[M+Na-2H]- 387.29929 203.0
[M]+ 366.32407 199.6
[M]- 366.32517 199.6
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.