CID 199278

3-((p-acetylphenyl)azo)-2,4-pentanedione

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(=O)C1=CC=C(C=C1)N=NC(C(=O)C)C(=O)C
InChI
InChI=1S/C13H14N2O3/c1-8(16)11-4-6-12(7-5-11)14-15-13(9(2)17)10(3)18/h4-7,13H,1-3H3
InChIKey
ATEFKWMTRLZTPR-UHFFFAOYSA-N
Compound name
3-[(4-acetylphenyl)diazenyl]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.4
[M+Na]+ 269.08967 164.8
[M+NH4]+ 264.13427 161.3
[M+K]+ 285.06361 160.7
[M-H]- 245.09317 156.8
[M+Na-2H]- 267.07512 160.2
[M]+ 246.09990 156.7
[M]- 246.10100 156.7
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.