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]+ 429.40508 219.0
[M+Na]+ 451.38702 215.7
[M-H]- 427.39052 214.1
[M+NH4]+ 446.43162 232.2
[M+K]+ 467.36096 211.7
[M+H-H2O]+ 411.39506 209.8
[M+HCOO]- 473.39600 238.4
[M+CH3COO]- 487.41165 237.1
[M+Na-2H]- 449.37247 213.8
[M]+ 428.39725 226.0
[M]- 428.39835 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