CID 108488

60659-43-0

Structural Information

Molecular Formula
C24H51NO4
SMILES
CCCCCCCCCCCCCCCCCCN(CC(CO)O)CC(CO)O
InChI
InChI=1S/C24H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-23(28)21-26)20-24(29)22-27/h23-24,26-29H,2-22H2,1H3
InChIKey
QCOZKOLXTLBJRT-UHFFFAOYSA-N
Compound name
3-[2,3-dihydroxypropyl(octadecyl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

417.3818 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.38908 216.8
[M+Na]+ 440.37102 213.3
[M-H]- 416.37452 209.3
[M+NH4]+ 435.41562 220.1
[M+K]+ 456.34496 209.5
[M+H-H2O]+ 400.37906 208.5
[M+HCOO]- 462.38000 223.9
[M+CH3COO]- 476.39565 228.4
[M+Na-2H]- 438.35647 209.4
[M]+ 417.38125 221.9
[M]- 417.38235 221.9
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