CID 82045

N,n-bis(2-hydroxyethyl)tetradecanamide

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)19(14-16-20)15-17-21/h20-21H,2-17H2,1H3
InChIKey
SKDZEPBJPGSFHS-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)tetradecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3330
Patents

315.27734 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.28462 186.5
[M+Na]+ 338.26656 187.2
[M-H]- 314.27006 183.1
[M+NH4]+ 333.31116 200.0
[M+K]+ 354.24050 184.7
[M+H-H2O]+ 298.27460 179.2
[M+HCOO]- 360.27554 204.8
[M+CH3COO]- 374.29119 211.5
[M+Na-2H]- 336.25201 184.4
[M]+ 315.27679 191.8
[M]- 315.27789 191.8
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