CID 18175890

Octacosanamide

Structural Information

Molecular Formula
C28H57NO
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N
InChI
InChI=1S/C28H57NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H2,29,30)
InChIKey
MYSPBSKLIFPWDI-UHFFFAOYSA-N
Compound name
octacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

592
Patents

423.444 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.45128 223.2
[M+Na]+ 446.43322 220.4
[M-H]- 422.43672 218.7
[M+NH4]+ 441.47782 226.0
[M+K]+ 462.40716 214.4
[M+H-H2O]+ 406.44126 214.2
[M+HCOO]- 468.44220 237.3
[M+CH3COO]- 482.45785 239.0
[M+Na-2H]- 444.41867 216.6
[M]+ 423.44345 231.1
[M]- 423.44455 231.1
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