CID 4014079

N'-(di(4-morpholinyl)phosphoryl)-n-(4-methylphenyl)-4-morpholinecarboximidamide

Structural Information

Molecular Formula
C20H32N5O4P
SMILES
CC1=CC=C(C=C1)NC(=NP(=O)(N2CCOCC2)N3CCOCC3)N4CCOCC4
InChI
InChI=1S/C20H32N5O4P/c1-18-2-4-19(5-3-18)21-20(23-6-12-27-13-7-23)22-30(26,24-8-14-28-15-9-24)25-10-16-29-17-11-25/h2-5H,6-17H2,1H3,(H,21,22,26)
InChIKey
OOARWRKQUSHXLQ-UHFFFAOYSA-N
Compound name
N'-dimorpholin-4-ylphosphoryl-N-(4-methylphenyl)morpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.21918 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.22646 207.1
[M+Na]+ 460.20840 203.6
[M-H]- 436.21190 213.7
[M+NH4]+ 455.25300 206.3
[M+K]+ 476.18234 204.5
[M+H-H2O]+ 420.21644 190.9
[M+HCOO]- 482.21738 218.7
[M+CH3COO]- 496.23303 231.5
[M+Na-2H]- 458.19385 205.5
[M]+ 437.21863 197.2
[M]- 437.21973 197.2
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.