CID 419298

Diethyl amino(4-methoxyphenyl)methylphosphonate

Structural Information

Molecular Formula
C12H20NO4P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)OC)N)OCC
InChI
InChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)12(13)10-6-8-11(15-3)9-7-10/h6-9,12H,4-5,13H2,1-3H3
InChIKey
LUCBUBZCLGCAFD-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl-(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

273.113 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12028 164.6
[M+Na]+ 296.10222 170.2
[M-H]- 272.10572 166.2
[M+NH4]+ 291.14682 180.8
[M+K]+ 312.07616 169.6
[M+H-H2O]+ 256.11026 155.6
[M+HCOO]- 318.11120 192.0
[M+CH3COO]- 332.12685 201.4
[M+Na-2H]- 294.08767 165.6
[M]+ 273.11245 169.4
[M]- 273.11355 169.4
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.