CID 3102214

302904-43-4

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

1
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 208.2
[M+Na]+ 476.20332 204.4
[M-H]- 452.20682 214.8
[M+NH4]+ 471.24792 206.6
[M+K]+ 492.17726 206.1
[M+H-H2O]+ 436.21136 191.9
[M+HCOO]- 498.21230 220.0
[M+CH3COO]- 512.22795 233.8
[M+Na-2H]- 474.18877 207.1
[M]+ 453.21355 199.6
[M]- 453.21465 199.6
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.