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]+ 413.37378 233.0
[M+Na]+ 435.35572 238.9
[M-H]- 411.35922 224.0
[M+NH4]+ 430.40032 230.4
[M+K]+ 451.32966 237.0
[M+H-H2O]+ 395.36376 220.6
[M+HCOO]- 457.36470 243.4
[M+CH3COO]- 471.38035 224.6
[M+Na-2H]- 433.34117 218.9
[M]+ 412.36595 227.4
[M]- 412.36705 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.