CID 156580405

N-(1-(2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl)-2-hydroxyethyl)stearamide

Structural Information

Molecular Formula
C36H71NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]1[C@H](OC(O1)(C)C)CCCCCCCCCCC
InChI
InChI=1S/C36H71NO4/c1-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-34(39)37-32(31-38)35-33(40-36(3,4)41-35)29-27-25-23-21-14-12-10-8-6-2/h32-33,35,38H,5-31H2,1-4H3,(H,37,39)/t32-,33+,35+/m0/s1
InChIKey
YSGBEFDGBKQJTK-VUHKNJSWSA-N
Compound name
N-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-undecyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.5383 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.54558 264.4
[M+Na]+ 604.52752 259.2
[M-H]- 580.53102 262.6
[M+NH4]+ 599.57212 266.1
[M+K]+ 620.50146 255.0
[M+H-H2O]+ 564.53556 256.0
[M+HCOO]- 626.53650 277.1
[M+CH3COO]- 640.55215 263.9
[M+Na-2H]- 602.51297 254.3
[M]+ 581.53775 275.0
[M]- 581.53885 275.0
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

No patent data available for this compound.