CID 103517

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

Structural Information

Molecular Formula
C15H26NO3P
SMILES
CCOP(=O)(C(CCN(C)C)C1=CC=CC=C1)OCC
InChI
InChI=1S/C15H26NO3P/c1-5-18-20(17,19-6-2)15(12-13-16(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3
InChIKey
IFVWDUXUTXMDHW-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryl-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.16504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17232 175.7
[M+Na]+ 322.15426 179.5
[M-H]- 298.15776 178.5
[M+NH4]+ 317.19886 191.6
[M+K]+ 338.12820 179.3
[M+H-H2O]+ 282.16230 166.0
[M+HCOO]- 344.16324 203.1
[M+CH3COO]- 358.17889 211.1
[M+Na-2H]- 320.13971 175.9
[M]+ 299.16449 182.2
[M]- 299.16559 182.2
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.