CID 72097

Pendecamaine

Structural Information

Molecular Formula
C23H47N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
InChI
InChI=1S/C23H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(26)24-19-17-20-25(2,3)21-23(27)28/h4-21H2,1-3H3,(H-,24,26,27,28)/p+1
InChIKey
OTKWLUKIHNEGIG-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(hexadecanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1547
Patents

399.35867 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.36595 205.2
[M+Na]+ 422.34789 210.7
[M+NH4]+ 417.39249 191.5
[M+K]+ 438.32183 205.1
[M-H]- 398.35139 204.3
[M+Na-2H]- 420.33334 204.2
[M]+ 399.35812 205.5
[M]- 399.35922 205.5
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

patents stripe