CID 14455181

Behenoyl diethanolamide

Structural Information

Molecular Formula
C26H53NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C26H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)27(22-24-28)23-25-29/h28-29H,2-25H2,1H3
InChIKey
UWDGKUMOFQTNHC-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)docosanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

434
Patents

427.40256 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.409836 221.3
[M+Na]+ 450.391778 218.5
[M-H]- 426.395284 216.2
[M+NH4]+ 445.436383 227.3
[M+K]+ 466.365718 214.1
[M+H-H2O]+ 410.399820 212.5
[M+HCOO]- 472.400761 234.4
[M+CH3COO]- 486.416411 234.9
[M+Na-2H]- 448.377226 215.1
[M]+ 427.40201142 229.5
[M]- 427.40310858 229.5
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