CID 43904

Gc 50

Structural Information

Molecular Formula
C22H48N4O2
SMILES
CC[N+](CC)(CC)CCNC(=O)CCCCC(=O)NCC[N+](CC)(CC)CC
InChI
InChI=1S/C22H46N4O2/c1-7-25(8-2,9-3)19-17-23-21(27)15-13-14-16-22(28)24-18-20-26(10-4,11-5)12-6/h7-20H2,1-6H3/p+2
InChIKey
AHEOMEKELXCLDP-UHFFFAOYSA-P
Compound name
triethyl-[2-[[6-oxo-6-[2-(triethylazaniumyl)ethylamino]hexanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.37772 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.38500 250.2
[M+Na]+ 423.36694 261.4
[M-H]- 399.37044 252.8
[M+NH4]+ 418.41154 252.7
[M+K]+ 439.34088 252.5
[M+H-H2O]+ 383.37498 237.2
[M+HCOO]- 445.37592 264.1
[M+CH3COO]- 459.39157 228.9
[M+Na-2H]- 421.35239 238.3
[M]+ 400.37717 244.7
[M]- 400.37827 244.7
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.