CID 103316

65186-10-9

Structural Information

Molecular Formula
C36H71NO4
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)37(31-33-38)32-34-41-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-34H2,1-2H3
InChIKey
AZZDHTGSIWDSIK-UHFFFAOYSA-N
Compound name
2-[hexadecanoyl(2-hydroxyethyl)amino]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.5383 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.54558 264.5
[M+Na]+ 604.52752 267.5
[M+NH4]+ 599.57212 265.9
[M+K]+ 620.50146 266.2
[M-H]- 580.53102 251.3
[M+Na-2H]- 602.51297 263.7
[M]+ 581.53775 261.5
[M]- 581.53885 261.5
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.