CID 6450448

N-(2-hydroxyethyl)-n-(3-(((8,11-heptadecadienyl)carbonyl)amino)propyl)methanamine oxide

Structural Information

Molecular Formula
C24H46N2O3
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCC[N@+](C)(CCO)[O-]
InChI
InChI=1S/C24H46N2O3/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/h7-8,10-11,27H,3-6,9,12-23H2,1-2H3,(H,25,28)/b8-7+,11-10+/t26-/m1/s1
InChIKey
CLPCIWOXMSGCSZ-WAUBNHITSA-N
Compound name
N-(2-hydroxyethyl)-N-methyl-3-[[(9E,12E)-octadeca-9,12-dienoyl]amino]propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.35083 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.35811 216.5
[M+Na]+ 433.34005 219.9
[M+NH4]+ 428.38465 222.6
[M+K]+ 449.31399 226.7
[M-H]- 409.34355 209.2
[M+Na-2H]- 431.32550 208.5
[M]+ 410.35028 216.0
[M]- 410.35138 216.0
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.