CID 3017509

Octadecanamide, n-[2-[bis(2-hydroxyethyl)amino]ethyl]-

Structural Information

Molecular Formula
C24H50N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CCO
InChI
InChI=1S/C24H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)25-18-19-26(20-22-27)21-23-28/h27-28H,2-23H2,1H3,(H,25,29)
InChIKey
PHCOOGODEGGILZ-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-hydroxyethyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

414.38214 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.389416 214.8
[M+Na]+ 437.371358 211.9
[M-H]- 413.374864 210.1
[M+NH4]+ 432.415963 228.6
[M+K]+ 453.345298 208.2
[M+H-H2O]+ 397.379400 205.8
[M+HCOO]- 459.380341 235.2
[M+CH3COO]- 473.395991 234.2
[M+Na-2H]- 435.356806 210.0
[M]+ 414.38159142 221.4
[M]- 414.38268858 221.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe