CID 296388

Dibenzyl (alpha-anilinobenzyl)-phosphonate

Structural Information

Molecular Formula
C27H26NO3P
SMILES
C1=CC=C(C=C1)COP(=O)(C(C2=CC=CC=C2)NC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C27H26NO3P/c29-32(30-21-23-13-5-1-6-14-23,31-22-24-15-7-2-8-16-24)27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey
CESNQFHCYWLCOU-UHFFFAOYSA-N
Compound name
N-[bis(phenylmethoxy)phosphoryl-phenylmethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

443.16504 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17232 208.7
[M+Na]+ 466.15426 209.7
[M-H]- 442.15776 217.9
[M+NH4]+ 461.19886 215.4
[M+K]+ 482.12820 204.5
[M+H-H2O]+ 426.16230 194.0
[M+HCOO]- 488.16324 234.2
[M+CH3COO]- 502.17889 231.0
[M+Na-2H]- 464.13971 210.1
[M]+ 443.16449 208.1
[M]- 443.16559 208.1
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

patents stripe