CID 53682008

Dipalmitoylethanolamine

Structural Information

Molecular Formula
C34H67NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)35(31-32-36)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-32H2,1-2H3
InChIKey
BHGSEIKDKNHNHN-UHFFFAOYSA-N
Compound name
N-hexadecanoyl-N-(2-hydroxyethyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

537.5121 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.51938 255.1
[M+Na]+ 560.50132 262.9
[M-H]- 536.50482 243.0
[M+NH4]+ 555.54592 256.9
[M+K]+ 576.47526 262.8
[M+H-H2O]+ 520.50936 255.1
[M+HCOO]- 582.51030 257.1
[M+CH3COO]- 596.52595 259.6
[M+Na-2H]- 558.48677 240.1
[M]+ 537.51155 253.3
[M]- 537.51265 253.3
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

patents stripe