CID 108780

Stearamidopropyl morpholine

Structural Information

Molecular Formula
C25H50N2O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1
InChI
InChI=1S/C25H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h2-24H2,1H3,(H,26,28)
InChIKey
DIHCYFIQOLPTQW-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

410.38724 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.39452 214.8
[M+Na]+ 433.37646 211.3
[M-H]- 409.37996 213.1
[M+NH4]+ 428.42106 221.9
[M+K]+ 449.35040 207.7
[M+H-H2O]+ 393.38450 204.3
[M+HCOO]- 455.38544 227.9
[M+CH3COO]- 469.40109 231.1
[M+Na-2H]- 431.36191 211.5
[M]+ 410.38669 217.9
[M]- 410.38779 217.9
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