CID 96721

Diphenyl(5-nitro-2-pyridyl)phosphoramidate

Structural Information

Molecular Formula
C17H14N3O5P
SMILES
C1=CC=C(C=C1)OP(=O)(NC2=NC=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3
InChI
InChI=1S/C17H14N3O5P/c21-20(22)14-11-12-17(18-13-14)19-26(23,24-15-7-3-1-4-8-15)25-16-9-5-2-6-10-16/h1-13H,(H,18,19,23)
InChIKey
AAFLWKZTCWDNEW-UHFFFAOYSA-N
Compound name
N-diphenoxyphosphoryl-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.0671 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07438 178.8
[M+Na]+ 394.05632 182.0
[M-H]- 370.05982 185.8
[M+NH4]+ 389.10092 187.2
[M+K]+ 410.03026 175.2
[M+H-H2O]+ 354.06436 170.1
[M+HCOO]- 416.06530 207.7
[M+CH3COO]- 430.08095 209.8
[M+Na-2H]- 392.04177 187.4
[M]+ 371.06655 178.2
[M]- 371.06765 178.2
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.