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 230.1
[M+Na]+ 433.34005 236.6
[M-H]- 409.34355 222.0
[M+NH4]+ 428.38465 227.9
[M+K]+ 449.31399 234.3
[M+H-H2O]+ 393.34809 217.8
[M+HCOO]- 455.34903 241.4
[M+CH3COO]- 469.36468 223.0
[M+Na-2H]- 431.32550 216.6
[M]+ 410.35028 224.3
[M]- 410.35138 224.3
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.