CID 57626

313 hc

Structural Information

Molecular Formula
C20H46N4
SMILES
CC[N+](CC)(CC)CCN1CCN(CC1)CC[N+](CC)(CC)CC
InChI
InChI=1S/C20H46N4/c1-7-23(8-2,9-3)19-17-21-13-15-22(16-14-21)18-20-24(10-4,11-5)12-6/h7-20H2,1-6H3/q+2
InChIKey
UWMKLTGHSMXJPJ-UHFFFAOYSA-N
Compound name
triethyl-[2-[4-[2-(triethylazaniumyl)ethyl]piperazin-1-yl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.37225 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.37953 187.1
[M+Na]+ 365.36147 187.6
[M-H]- 341.36497 188.7
[M+NH4]+ 360.40607 198.8
[M+K]+ 381.33541 174.9
[M+H-H2O]+ 325.36951 183.7
[M+HCOO]- 387.37045 201.9
[M+CH3COO]- 401.38610 215.4
[M+Na-2H]- 363.34692 194.9
[M]+ 342.37170 185.9
[M]- 342.37280 185.9
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.