CID 43896

Gc 45

Structural Information

Molecular Formula
C16H36N4O2
SMILES
C[N+](C)(C)CCNC(=O)CCCCC(=O)NCC[N+](C)(C)C
InChI
InChI=1S/C16H34N4O2/c1-19(2,3)13-11-17-15(21)9-7-8-10-16(22)18-12-14-20(4,5)6/h7-14H2,1-6H3/p+2
InChIKey
NJVJBOWFQTUIIQ-UHFFFAOYSA-P
Compound name
trimethyl-[2-[[6-oxo-6-[2-(trimethylazaniumyl)ethylamino]hexanoyl]amino]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.2838 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.29108 207.5
[M+Na]+ 339.27302 212.8
[M+NH4]+ 334.31762 214.6
[M+K]+ 355.24696 218.0
[M-H]- 315.27652 201.4
[M+Na-2H]- 337.25847 200.2
[M]+ 316.28325 208.1
[M]- 316.28435 208.1
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.