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

literature stripe

Patent stripe

patents stripe