CID 456122

4,6-dibenzyl-5-hydroxy-5-oxo-1,3,5$l^{5}-diazaphosphinan-2-one

Structural Information

Molecular Formula
C17H19N2O3P
SMILES
C1=CC=C(C=C1)CC2NC(=O)NC(P2(=O)O)CC3=CC=CC=C3
InChI
InChI=1S/C17H19N2O3P/c20-17-18-15(11-13-7-3-1-4-8-13)23(21,22)16(19-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,22)(H2,18,19,20)
InChIKey
YYWLIJMJUBOMEV-UHFFFAOYSA-N
Compound name
4,6-dibenzyl-5-hydroxy-5-oxo-1,3,5lambda5-diazaphosphinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11334 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12062 178.9
[M+Na]+ 353.10256 184.1
[M-H]- 329.10606 180.2
[M+NH4]+ 348.14716 189.6
[M+K]+ 369.07650 177.7
[M+H-H2O]+ 313.11060 166.9
[M+HCOO]- 375.11154 197.8
[M+CH3COO]- 389.12719 200.9
[M+Na-2H]- 351.08801 178.1
[M]+ 330.11279 172.6
[M]- 330.11389 172.6
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.