CID 103316

Einecs 265-605-6

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
2
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]+ 582.545576 264.1
[M+Na]+ 604.527518 271.0
[M-H]- 580.531024 251.8
[M+NH4]+ 599.572123 266.5
[M+K]+ 620.501458 271.6
[M+H-H2O]+ 564.535560 264.0
[M+HCOO]- 626.536501 265.3
[M+CH3COO]- 640.552151 266.9
[M+Na-2H]- 602.512966 247.8
[M]+ 581.53775142 262.2
[M]- 581.53884858 262.2
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.