CID 202204

7761-63-9

Structural Information

Molecular Formula
C14H24NO5P
SMILES
CCOP(=O)(NCCC1=CC(=C(C=C1)OC)OC)OCC
InChI
InChI=1S/C14H24NO5P/c1-5-19-21(16,20-6-2)15-10-9-12-7-8-13(17-3)14(11-12)18-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,15,16)
InChIKey
VUYGHHAMISYIPK-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.13922 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14650 175.0
[M+Na]+ 340.12844 180.7
[M-H]- 316.13194 177.1
[M+NH4]+ 335.17304 190.0
[M+K]+ 356.10238 180.2
[M+H-H2O]+ 300.13648 165.4
[M+HCOO]- 362.13742 203.6
[M+CH3COO]- 376.15307 210.6
[M+Na-2H]- 338.11389 176.9
[M]+ 317.13867 184.0
[M]- 317.13977 184.0
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

patents stripe