CID 103521

Diethyl 1-(1-phenyl-3-morpholinopropyl)phosphonate hydrochloride

Structural Information

Molecular Formula
C17H28NO4P
SMILES
CCOP(=O)(C(CCN1CCOCC1)C2=CC=CC=C2)OCC
InChI
InChI=1S/C17H28NO4P/c1-3-21-23(19,22-4-2)17(16-8-6-5-7-9-16)10-11-18-12-14-20-15-13-18/h5-9,17H,3-4,10-15H2,1-2H3
InChIKey
LOCVHLWWGBJKMN-UHFFFAOYSA-N
Compound name
4-(3-diethoxyphosphoryl-3-phenylpropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1756 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18288 185.5
[M+Na]+ 364.16482 187.0
[M-H]- 340.16832 188.1
[M+NH4]+ 359.20942 195.7
[M+K]+ 380.13876 186.5
[M+H-H2O]+ 324.17286 173.8
[M+HCOO]- 386.17380 205.6
[M+CH3COO]- 400.18945 210.3
[M+Na-2H]- 362.15027 185.4
[M]+ 341.17505 187.2
[M]- 341.17615 187.2
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.