CID 9862307

Palmitoyl serinol

Structural Information

Molecular Formula
C19H39NO3
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CO)CO
InChI
InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)
InChIKey
MZUNFYMZKTWADX-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxypropan-2-yl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

67
Patents

329.293 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.30028 191.0
[M+Na]+ 352.28222 190.8
[M-H]- 328.28572 185.9
[M+NH4]+ 347.32682 203.2
[M+K]+ 368.25616 187.2
[M+H-H2O]+ 312.29026 183.7
[M+HCOO]- 374.29120 207.3
[M+CH3COO]- 388.30685 211.9
[M+Na-2H]- 350.26767 187.8
[M]+ 329.29245 194.7
[M]- 329.29355 194.7
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