CID 456123

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

Structural Information

Molecular Formula
C31H31N2O3P
SMILES
C1=CC=C(C=C1)CC2N(C(=O)N(C(P2(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C31H31N2O3P/c34-31-32(23-27-17-9-3-10-18-27)29(21-25-13-5-1-6-14-25)37(35,36)30(22-26-15-7-2-8-16-26)33(31)24-28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,35,36)
InChIKey
VDKNGIRBKVESJN-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrabenzyl-5-hydroxy-5-oxo-1,3,5lambda5-diazaphosphinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.20724 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.21452 229.0
[M+Na]+ 533.19646 232.2
[M-H]- 509.19996 237.6
[M+NH4]+ 528.24106 232.0
[M+K]+ 549.17040 224.3
[M+H-H2O]+ 493.20450 210.8
[M+HCOO]- 555.20544 247.3
[M+CH3COO]- 569.22109 233.7
[M+Na-2H]- 531.18191 224.1
[M]+ 510.20669 224.7
[M]- 510.20779 224.7
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.