CID 85782123

Schembl17817134

Structural Information

Molecular Formula
C22H45NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCOCCO
InChI
InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h24H,2-21H2,1H3,(H,23,25)
InChIKey
LFKAKTJJVHTSDI-UHFFFAOYSA-N
Compound name
N-[2-(2-hydroxyethoxy)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

371.33994 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.34722 202.7
[M+Na]+ 394.32916 201.9
[M-H]- 370.33266 198.4
[M+NH4]+ 389.37376 214.0
[M+K]+ 410.30310 197.9
[M+H-H2O]+ 354.33720 194.5
[M+HCOO]- 416.33814 220.6
[M+CH3COO]- 430.35379 222.5
[M+Na-2H]- 392.31461 199.9
[M]+ 371.33939 210.2
[M]- 371.34049 210.2
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