CID 108774

Octadecanamide, n-[3-[bis(2-hydroxyethyl)amino]propyl]-

Structural Information

Molecular Formula
C25H52N2O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO
InChI
InChI=1S/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)26-19-17-20-27(21-23-28)22-24-29/h28-29H,2-24H2,1H3,(H,26,30)
InChIKey
RUBMRRHXTTXPMB-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

428.3978 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.405076 219.0
[M+Na]+ 451.387018 215.7
[M-H]- 427.390524 214.1
[M+NH4]+ 446.431623 232.2
[M+K]+ 467.360958 211.7
[M+H-H2O]+ 411.395060 209.8
[M+HCOO]- 473.396001 238.4
[M+CH3COO]- 487.411651 237.1
[M+Na-2H]- 449.372466 213.8
[M]+ 428.39725142 226.0
[M]- 428.39834858 226.0
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

patents stripe