CID 22496699

N-(1,1-dihydroxyhexadecyl)hexadecanamide

Structural Information

Molecular Formula
C32H65NO3
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCCCC)(O)O
InChI
InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)33-32(35,36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-30H2,1-2H3,(H,33,34)
InChIKey
PBLKITKTYZYVPA-UHFFFAOYSA-N
Compound name
N-(1,1-dihydroxyhexadecyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

511.49646 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.50374 245.2
[M+Na]+ 534.48568 249.4
[M-H]- 510.48918 231.6
[M+NH4]+ 529.53028 240.4
[M+K]+ 550.45962 249.4
[M+H-H2O]+ 494.49372 240.1
[M+HCOO]- 556.49466 249.3
[M+CH3COO]- 570.51031 249.5
[M+Na-2H]- 532.47113 228.3
[M]+ 511.49591 242.4
[M]- 511.49701 242.4
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