CID 45736

As-4149

Structural Information

Molecular Formula
C24H54N2O
SMILES
CCCCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCCCC
InChI
InChI=1S/C24H54N2O/c1-7-11-13-15-17-19-25(5,6)21-23-27-24-22-26(9-3,10-4)20-18-16-14-12-8-2/h7-24H2,1-6H3/q+2
InChIKey
RXQUYUYZGZLZMZ-UHFFFAOYSA-N
Compound name
diethyl-heptyl-[2-[2-[heptyl(dimethyl)azaniumyl]ethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.4236 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.43088 246.2
[M+Na]+ 409.41282 253.7
[M-H]- 385.41632 238.6
[M+NH4]+ 404.45742 246.1
[M+K]+ 425.38676 247.5
[M+H-H2O]+ 369.42086 203.6
[M+HCOO]- 431.42180 266.3
[M+CH3COO]- 445.43745 226.7
[M+Na-2H]- 407.39827 211.3
[M]+ 386.42305 246.4
[M]- 386.42415 246.4
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.