CID 3008318

149022-18-4

Structural Information

Molecular Formula
C29H50N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@@H](C2=CC=CC=C2)O
InChI
InChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32)/t27-,29-/m1/s1
InChIKey
OFBANDBMHLEMFA-XRKRLSELSA-N
Compound name
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

60
Patents

474.38214 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.38942 228.3
[M+Na]+ 497.37136 223.1
[M-H]- 473.37486 228.2
[M+NH4]+ 492.41596 231.2
[M+K]+ 513.34530 219.0
[M+H-H2O]+ 457.37940 216.7
[M+HCOO]- 519.38034 238.2
[M+CH3COO]- 533.39599 239.7
[M+Na-2H]- 495.35681 222.8
[M]+ 474.38159 228.3
[M]- 474.38269 228.3
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.