CID 3079165

2-(hexadecyloxy)-4-methyl-2-phenylmorpholine hydrochloride

Structural Information

Molecular Formula
C27H47NO2
SMILES
CCCCCCCCCCCCCCCCOC1(CN(CCO1)C)C2=CC=CC=C2
InChI
InChI=1S/C27H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-29-27(25-28(2)22-24-30-27)26-20-17-16-18-21-26/h16-18,20-21H,3-15,19,22-25H2,1-2H3
InChIKey
SDYUYQJNLMPYMM-UHFFFAOYSA-N
Compound name
2-hexadecoxy-4-methyl-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.3607 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.36798 212.7
[M+Na]+ 440.34992 212.2
[M-H]- 416.35342 214.9
[M+NH4]+ 435.39452 221.7
[M+K]+ 456.32386 208.2
[M+H-H2O]+ 400.35796 201.9
[M+HCOO]- 462.35890 226.3
[M+CH3COO]- 476.37455 228.8
[M+Na-2H]- 438.33537 211.8
[M]+ 417.36015 216.5
[M]- 417.36125 216.5
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.