CID 3253993

Diphenyl (alpha-anilino-2-pyridylmethyl)phosphonate

Structural Information

Molecular Formula
C24H21N2O3P
SMILES
C1=CC=C(C=C1)NC(C2=CC=CC=N2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H21N2O3P/c27-30(28-21-14-6-2-7-15-21,29-22-16-8-3-9-17-22)24(23-18-10-11-19-25-23)26-20-12-4-1-5-13-20/h1-19,24,26H
InChIKey
MXHHPIZIGHWCOS-UHFFFAOYSA-N
Compound name
N-[diphenoxyphosphoryl(pyridin-2-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

416.12897 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13625 198.4
[M+Na]+ 439.11819 200.7
[M-H]- 415.12169 206.9
[M+NH4]+ 434.16279 204.9
[M+K]+ 455.09213 195.8
[M+H-H2O]+ 399.12623 183.5
[M+HCOO]- 461.12717 223.7
[M+CH3COO]- 475.14282 225.0
[M+Na-2H]- 437.10364 201.8
[M]+ 416.12842 197.3
[M]- 416.12952 197.3
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

patents stripe