CID 45689

M&b 2272

Structural Information

Molecular Formula
C22H42N2
SMILES
CC[N+](CC)(CC)CCCCC1=CC=C(C=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C22H42N2/c1-7-23(8-2,9-3)20-14-13-15-21-16-18-22(19-17-21)24(10-4,11-5)12-6/h16-19H,7-15,20H2,1-6H3/q+2
InChIKey
SNARAIKBGVOXBX-UHFFFAOYSA-N
Compound name
triethyl-[4-[4-(triethylazaniumyl)butyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.3348 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.34208 186.2
[M+Na]+ 357.32402 188.9
[M-H]- 333.32752 191.3
[M+NH4]+ 352.36862 201.1
[M+K]+ 373.29796 175.2
[M+H-H2O]+ 317.33206 184.2
[M+HCOO]- 379.33300 207.0
[M+CH3COO]- 393.34865 215.2
[M+Na-2H]- 355.30947 194.7
[M]+ 334.33425 189.1
[M]- 334.33535 189.1
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.