CID 382135

Nsc669580

Structural Information

Molecular Formula
C14H24NO5P
SMILES
CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N)OCC
InChI
InChI=1S/C14H24NO5P/c1-5-19-21(16,20-6-2)14(15)10-11-7-8-12(17-3)13(9-11)18-4/h7-9,14H,5-6,10,15H2,1-4H3
InChIKey
VNEZKSFOJIRMSN-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13922 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14650 175.7
[M+Na]+ 340.12844 181.2
[M-H]- 316.13194 177.4
[M+NH4]+ 335.17304 190.4
[M+K]+ 356.10238 181.0
[M+H-H2O]+ 300.13648 166.3
[M+HCOO]- 362.13742 202.7
[M+CH3COO]- 376.15307 210.8
[M+Na-2H]- 338.11389 175.4
[M]+ 317.13867 183.1
[M]- 317.13977 183.1
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.