CID 20380

1-phenyl-2-(p-tolylazo)-1,3-butanedione

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC1=CC=C(C=C1)N=NC(C(=O)C)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16N2O2/c1-12-8-10-15(11-9-12)18-19-16(13(2)20)17(21)14-6-4-3-5-7-14/h3-11,16H,1-2H3
InChIKey
PCDPOPUECJDSLB-UHFFFAOYSA-N
Compound name
2-[(4-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12848 165.6
[M+Na]+ 303.11042 177.9
[M+NH4]+ 298.15502 173.0
[M+K]+ 319.08436 171.1
[M-H]- 279.11392 170.8
[M+Na-2H]- 301.09587 174.6
[M]+ 280.12065 168.6
[M]- 280.12175 168.6
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.