CID 103519

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

Structural Information

Molecular Formula
C17H30NO3P
SMILES
CCN(CC)CCC(C1=CC=CC=C1)P(=O)(OCC)OCC
InChI
InChI=1S/C17H30NO3P/c1-5-18(6-2)15-14-17(16-12-10-9-11-13-16)22(19,20-7-3)21-8-4/h9-13,17H,5-8,14-15H2,1-4H3
InChIKey
QQEYYUIBIPVGRS-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryl-N,N-diethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20360 185.3
[M+Na]+ 350.18554 188.2
[M-H]- 326.18904 187.7
[M+NH4]+ 345.23014 200.0
[M+K]+ 366.15948 187.5
[M+H-H2O]+ 310.19358 175.1
[M+HCOO]- 372.19452 212.0
[M+CH3COO]- 386.21017 217.1
[M+Na-2H]- 348.17099 184.5
[M]+ 327.19577 192.5
[M]- 327.19687 192.5
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.