CID 71587381

Oleamidoethylacetamide ethanolate

Structural Information

Molecular Formula
C24H46N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCN(CCO)C(=O)C
InChI
InChI=1S/C24H46N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(29)25-19-20-26(21-22-27)23(2)28/h10-11,27H,3-9,12-22H2,1-2H3,(H,25,29)/b11-10-
InChIKey
KBJXJWRZGPVXFX-KHPPLWFESA-N
Compound name
(Z)-N-[2-[acetyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

410.35083 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.35811 214.0
[M+Na]+ 433.34005 212.2
[M-H]- 409.34355 211.0
[M+NH4]+ 428.38465 227.8
[M+K]+ 449.31399 208.6
[M+H-H2O]+ 393.34809 205.2
[M+HCOO]- 455.34903 231.0
[M+CH3COO]- 469.36468 234.6
[M+Na-2H]- 431.32550 208.5
[M]+ 410.35028 220.4
[M]- 410.35138 220.4
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

No patent data available for this compound.