CID 5272905

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

Structural Information

Molecular Formula
C27H34N3O3P
SMILES
CCCCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)OCCCC
InChI
InChI=1S/C27H34N3O3P/c1-3-5-21-32-34(31,33-22-6-4-2)27(23-13-9-7-10-14-23)28-24-17-19-26(20-18-24)30-29-25-15-11-8-12-16-25/h7-20,27-28H,3-6,21-22H2,1-2H3
InChIKey
ZUCVBFXGIVFHPU-UHFFFAOYSA-N
Compound name
N-[dibutoxyphosphoryl(phenyl)methyl]-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.23376 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.24104 219.4
[M+Na]+ 502.22298 219.7
[M-H]- 478.22648 228.3
[M+NH4]+ 497.26758 226.5
[M+K]+ 518.19692 216.2
[M+H-H2O]+ 462.23102 204.4
[M+HCOO]- 524.23196 249.4
[M+CH3COO]- 538.24761 249.5
[M+Na-2H]- 500.20843 220.3
[M]+ 479.23321 224.1
[M]- 479.23431 224.1
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

No patent data available for this compound.