CID 15953902

(4r,6r)-4,6-dibenzyl-5-hydroxy-1,3-bis(2-naphthylmethyl)-5-oxo-1,3,5$l^{5}-diazaphosphinan-2-one

Structural Information

Molecular Formula
C39H35N2O3P
SMILES
C1=CC=C(C=C1)C[C@@H]2N(C(=O)N([C@H](P2(=O)O)CC3=CC=CC=C3)CC4=CC5=CC=CC=C5C=C4)CC6=CC7=CC=CC=C7C=C6
InChI
InChI=1S/C39H35N2O3P/c42-39-40(27-31-19-21-33-15-7-9-17-35(33)23-31)37(25-29-11-3-1-4-12-29)45(43,44)38(26-30-13-5-2-6-14-30)41(39)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-38H,25-28H2,(H,43,44)/t37-,38-/m1/s1
InChIKey
YZEPJBCNRONXEK-XPSQVAKYSA-N
Compound name
(4R,6R)-4,6-dibenzyl-5-hydroxy-1,3-bis(naphthalen-2-ylmethyl)-5-oxo-1,3,5lambda5-diazaphosphinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.2385 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.24578 256.2
[M+Na]+ 633.22772 259.9
[M-H]- 609.23122 265.7
[M+NH4]+ 628.27232 256.3
[M+K]+ 649.20166 250.5
[M+H-H2O]+ 593.23576 234.6
[M+HCOO]- 655.23670 270.7
[M+CH3COO]- 669.25235 258.6
[M+Na-2H]- 631.21317 251.3
[M]+ 610.23795 252.3
[M]- 610.23905 252.3
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.