CID 15953903

(4r,6s)-4,6-dibenzyl-1,3-bis[[4-(bromomethyl)phenyl]methyl]-5-hydroxy-5-oxo-1,3,5$l^{5}-diazaphosphinan-2-one

Structural Information

Molecular Formula
C33H33Br2N2O3P
SMILES
C1=CC=C(C=C1)C[C@@H]2N(C(=O)N([C@@H](P2(=O)O)CC3=CC=CC=C3)CC4=CC=C(C=C4)CBr)CC5=CC=C(C=C5)CBr
InChI
InChI=1S/C33H33Br2N2O3P/c34-21-27-11-15-29(16-12-27)23-36-31(19-25-7-3-1-4-8-25)41(39,40)32(20-26-9-5-2-6-10-26)37(33(36)38)24-30-17-13-28(22-35)14-18-30/h1-18,31-32H,19-24H2,(H,39,40)/t31-,32+
InChIKey
FFXHPSLWFWPPON-MEKGRNQZSA-N
Compound name
(4R,6S)-4,6-dibenzyl-1,3-bis[[4-(bromomethyl)phenyl]methyl]-5-hydroxy-5-oxo-1,3,5lambda5-diazaphosphinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.0596 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.06688 245.6
[M+Na]+ 717.04882 249.6
[M-H]- 693.05232 255.3
[M+NH4]+ 712.09342 249.4
[M+K]+ 733.02276 234.6
[M+H-H2O]+ 677.05686 246.7
[M+HCOO]- 739.05780 255.9
[M+CH3COO]- 753.07345 257.9
[M+Na-2H]- 715.03427 239.7
[M]+ 694.05905 276.7
[M]- 694.06015 276.7
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.