CID 44146253

N,n-bis(2-hydroxyethyl)dodecanamide monoacetate

Structural Information

Molecular Formula
C18H35NO4
SMILES
CCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C
InChI
InChI=1S/C18H35NO4/c1-3-4-5-6-7-8-9-10-11-12-18(22)19(13-15-20)14-16-23-17(2)21/h20H,3-16H2,1-2H3
InChIKey
XXONIUDZFGBHDY-UHFFFAOYSA-N
Compound name
2-[dodecanoyl(2-hydroxyethyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.25662 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.26390 188.1
[M+Na]+ 352.24584 189.4
[M-H]- 328.24934 186.3
[M+NH4]+ 347.29044 201.7
[M+K]+ 368.21978 188.2
[M+H-H2O]+ 312.25388 180.7
[M+HCOO]- 374.25482 207.4
[M+CH3COO]- 388.27047 215.3
[M+Na-2H]- 350.23129 185.4
[M]+ 329.25607 195.4
[M]- 329.25717 195.4
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