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
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 264.1
[M+Na]+ 604.52752 271.0
[M-H]- 580.53102 251.8
[M+NH4]+ 599.57212 266.5
[M+K]+ 620.50146 271.6
[M+H-H2O]+ 564.53556 264.0
[M+HCOO]- 626.53650 265.3
[M+CH3COO]- 640.55215 266.9
[M+Na-2H]- 602.51297 247.8
[M]+ 581.53775 262.2
[M]- 581.53885 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.