CID 109125

Einecs 262-924-2

Structural Information

Molecular Formula
C25H52N2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCOCCN(CCO)CCO
InChI
InChI=1S/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-24-31-23-20-27(18-21-28)19-22-29/h28-29H,2-24H2,1H3,(H,26,30)
InChIKey
ZFTNSSDKWRIVEY-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-hydroxyethyl)amino]ethoxymethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.3927 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.39998 220.9
[M+Na]+ 467.38192 244.6
[M-H]- 443.38542 228.3
[M+NH4]+ 462.42652 234.5
[M+K]+ 483.35586 214.1
[M+H-H2O]+ 427.38996 211.5
[M+HCOO]- 489.39090 240.0
[M+CH3COO]- 503.40655 239.0
[M+Na-2H]- 465.36737 215.9
[M]+ 444.39215 231.9
[M]- 444.39325 231.9
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

No patent data available for this compound.