CID 3102214

N'-dimorpholin-4-ylphosphoryl-n-(4-methoxyphenyl)morpholine-4-carboximidamide

Structural Information

Molecular Formula
C20H32N5O5P
SMILES
COC1=CC=C(C=C1)NC(=NP(=O)(N2CCOCC2)N3CCOCC3)N4CCOCC4
InChI
InChI=1S/C20H32N5O5P/c1-27-19-4-2-18(3-5-19)21-20(23-6-12-28-13-7-23)22-31(26,24-8-14-29-15-9-24)25-10-16-30-17-11-25/h2-5H,6-17H2,1H3,(H,21,22,26)
InChIKey
WUFHJSSWHPCPIW-UHFFFAOYSA-N
Compound name
N'-dimorpholin-4-ylphosphoryl-N-(4-methoxyphenyl)morpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

453.2141 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22138 206.9
[M+Na]+ 476.20332 213.8
[M+NH4]+ 471.24792 210.2
[M+K]+ 492.17726 211.0
[M-H]- 452.20682 214.7
[M+Na-2H]- 474.18877 210.2
[M]+ 453.21355 209.4
[M]- 453.21465 209.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.