CID 106281

Einecs 267-999-5

Structural Information

Molecular Formula
C23H47N3O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)N
InChI
InChI=1S/C23H47N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)25-18-19-26(20-21-27)23(24)29/h27H,2-21H2,1H3,(H2,24,29)(H,25,28)
InChIKey
DHUMLDQZOQCRKP-UHFFFAOYSA-N
Compound name
N-[2-[carbamoyl(2-hydroxyethyl)amino]ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.36176 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.36904 213.2
[M+Na]+ 436.35098 210.4
[M-H]- 412.35448 209.7
[M+NH4]+ 431.39558 228.0
[M+K]+ 452.32492 207.6
[M+H-H2O]+ 396.35902 203.8
[M+HCOO]- 458.35996 230.2
[M+CH3COO]- 472.37561 237.7
[M+Na-2H]- 434.33643 207.5
[M]+ 413.36121 218.0
[M]- 413.36231 218.0
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.