CID 85969

N,n-dibutyl-12-hydroxyoctadecanamide

Structural Information

Molecular Formula
C26H53NO2
SMILES
CCCCCCC(CCCCCCCCCCC(=O)N(CCCC)CCCC)O
InChI
InChI=1S/C26H53NO2/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-22-26(29)27(23-8-5-2)24-9-6-3/h25,28H,4-24H2,1-3H3
InChIKey
DZJSNRMJNYRMAG-UHFFFAOYSA-N
Compound name
N,N-dibutyl-12-hydroxyoctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.40762 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.41490 220.1
[M+Na]+ 434.39684 217.7
[M-H]- 410.40034 216.7
[M+NH4]+ 429.44144 228.3
[M+K]+ 450.37078 214.1
[M+H-H2O]+ 394.40488 211.5
[M+HCOO]- 456.40582 231.5
[M+CH3COO]- 470.42147 236.4
[M+Na-2H]- 432.38229 212.9
[M]+ 411.40707 228.2
[M]- 411.40817 228.2
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