CID 44151593

94139-09-0

Structural Information

Molecular Formula
C20H40N2O3
SMILES
CCCCCCCCCCCCCC(=O)N(CCNCC)OC(=O)C
InChI
InChI=1S/C20H40N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-20(24)22(25-19(3)23)18-17-21-5-2/h21H,4-18H2,1-3H3
InChIKey
DMPCVHZWDRNIHS-UHFFFAOYSA-N
Compound name
[2-(ethylamino)ethyl-tetradecanoylamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.3039 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.311176 198.3
[M+Na]+ 379.293118 198.3
[M-H]- 355.296624 197.5
[M+NH4]+ 374.337723 211.2
[M+K]+ 395.267058 197.1
[M+H-H2O]+ 339.301160 189.9
[M+HCOO]- 401.302101 219.1
[M+CH3COO]- 415.317751 226.2
[M+Na-2H]- 377.278566 195.1
[M]+ 356.30335142 205.8
[M]- 356.30444858 205.8
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.