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

4
Patents

443.16504 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.172316 208.7
[M+Na]+ 466.154258 209.7
[M-H]- 442.157764 217.9
[M+NH4]+ 461.198863 215.4
[M+K]+ 482.128198 204.5
[M+H-H2O]+ 426.162300 194.0
[M+HCOO]- 488.163241 234.2
[M+CH3COO]- 502.178891 231.0
[M+Na-2H]- 464.139706 210.1
[M]+ 443.16449142 208.1
[M]- 443.16558858 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