CID 5272904

N-[diethoxyphosphoryl(phenyl)methyl]-4-[(e)-phenylazo]aniline

Structural Information

Molecular Formula
C23H26N3O3P
SMILES
CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)OCC
InChI
InChI=1S/C23H26N3O3P/c1-3-28-30(27,29-4-2)23(19-11-7-5-8-12-19)24-20-15-17-22(18-16-20)26-25-21-13-9-6-10-14-21/h5-18,23-24H,3-4H2,1-2H3
InChIKey
FMULOGGTSYZTQH-UHFFFAOYSA-N
Compound name
N-[diethoxyphosphoryl(phenyl)methyl]-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.17117 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17845 201.5
[M+Na]+ 446.16039 203.7
[M-H]- 422.16389 211.2
[M+NH4]+ 441.20499 210.9
[M+K]+ 462.13433 200.9
[M+H-H2O]+ 406.16843 187.3
[M+HCOO]- 468.16937 233.0
[M+CH3COO]- 482.18502 237.9
[M+Na-2H]- 444.14584 204.4
[M]+ 423.17062 204.9
[M]- 423.17172 204.9
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.