CID 93626

N,n-diethylhexadecan-1-amide

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCCCCCCCCCCCCC(=O)N(CC)CC
InChI
InChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(5-2)6-3/h4-19H2,1-3H3
InChIKey
MEBZVMXZXFKHJS-UHFFFAOYSA-N
Compound name
N,N-diethylhexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

135
Patents

311.31882 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.326096 189.7
[M+Na]+ 334.308038 190.5
[M-H]- 310.311544 188.9
[M+NH4]+ 329.352643 205.0
[M+K]+ 350.281978 188.3
[M+H-H2O]+ 294.316080 182.0
[M+HCOO]- 356.317021 209.8
[M+CH3COO]- 370.332671 218.9
[M+Na-2H]- 332.293486 187.4
[M]+ 311.31827142 196.8
[M]- 311.31936858 196.8
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