CID 6450447

N-(2-hydroxyethyl)-n-(3-(((8-heptadecenyl)carbonyl)amino)propyl)methanamine oxide

Structural Information

Molecular Formula
C24H48N2O3
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)NCCC[N@+](C)(CCO)[O-]
InChI
InChI=1S/C24H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(28)25-20-18-21-26(2,29)22-23-27/h10-11,27H,3-9,12-23H2,1-2H3,(H,25,28)/b11-10+/t26-/m1/s1
InChIKey
YMYHRHASDUIEBR-QJASNXPTSA-N
Compound name
N-(2-hydroxyethyl)-N-methyl-3-[[(E)-octadec-9-enoyl]amino]propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.3665 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.373776 233.0
[M+Na]+ 435.355718 238.9
[M-H]- 411.359224 224.0
[M+NH4]+ 430.400323 230.4
[M+K]+ 451.329658 237.0
[M+H-H2O]+ 395.363760 220.6
[M+HCOO]- 457.364701 243.4
[M+CH3COO]- 471.380351 224.6
[M+Na-2H]- 433.341166 218.9
[M]+ 412.36595142 227.4
[M]- 412.36704858 227.4
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.