CID 324085

59349-95-0

Structural Information

Molecular Formula
C15H20N3O5P
SMILES
C1COCCN1P(=O)(N2CCOCC2)N3C4=CC=CC=C4OC3=O
InChI
InChI=1S/C15H20N3O5P/c19-15-18(13-3-1-2-4-14(13)23-15)24(20,16-5-9-21-10-6-16)17-7-11-22-12-8-17/h1-4H,5-12H2
InChIKey
BCXLOPQVKZUHNL-UHFFFAOYSA-N
Compound name
3-dimorpholin-4-ylphosphoryl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.11404 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12132 179.9
[M+Na]+ 376.10326 184.6
[M-H]- 352.10676 185.9
[M+NH4]+ 371.14786 186.4
[M+K]+ 392.07720 185.3
[M+H-H2O]+ 336.11130 167.4
[M+HCOO]- 398.11224 195.8
[M+CH3COO]- 412.12789 208.6
[M+Na-2H]- 374.08871 180.9
[M]+ 353.11349 178.2
[M]- 353.11459 178.2
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.