CID 21666617

Behenamidoethyl diethylamine

Structural Information

Molecular Formula
C28H58N2O
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
InChI
InChI=1S/C28H58N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(31)29-26-27-30(5-2)6-3/h4-27H2,1-3H3,(H,29,31)
InChIKey
KHPAAXRLVYMUHU-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2845
Patents

438.45493 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.46221 227.9
[M+Na]+ 461.44415 224.4
[M-H]- 437.44765 225.3
[M+NH4]+ 456.48875 244.7
[M+K]+ 477.41809 220.2
[M+H-H2O]+ 421.45219 218.1
[M+HCOO]- 483.45313 250.0
[M+CH3COO]- 497.46878 247.1
[M+Na-2H]- 459.42960 221.7
[M]+ 438.45438 237.1
[M]- 438.45548 237.1
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